AI29844
1314391-41-7 | tert-Butyl 3-(hydroxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI29844
ChemicalName
tert-Butyl 3-(hydroxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8h)-carboxylate
CasNumber
1314391-41-7
MolecularFormula
C12H19N3O3
MolecularWeight
253.29755999999998
MdlNumber
MFCD20231143
Smiles
OCc1cnc2n1CCN(C2)C(=O)OC(C)(C)C
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.4
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CatalogNumber: AI29844
ChemicalName: tert-Butyl 3-(hydroxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8h)-carboxylate
CasNumber: 1314391-41-7
MolecularFormula: C12H19N3O3
MolecularWeight: 253.29755999999998
MdlNumber: MFCD20231143
Smiles: OCc1cnc2n1CCN(C2)C(=O)OC(C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AI29844
ChemicalName:
tert-Butyl 3-(hydroxymethyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8h)-carboxylate
CasNumber:
1314391-41-7
MolecularFormula:
C12H19N3O3
MolecularWeight:
253.29755999999998
MdlNumber:
MFCD20231143
Smiles:
OCc1cnc2n1CCN(C2)C(=O)OC(C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: AI29845
ChemicalName: 7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid
CasNumber: 1314391-59-7
MolecularFormula: C12H17N3O4
MolecularWeight: 267.28108000000003
MdlNumber: MFCD23106110
Smiles: O=C(N1CCn2c(C1)ncc2C(=O)O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AI29845
ChemicalName:
7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylic acid
CasNumber:
1314391-59-7
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.28108000000003
MdlNumber:
MFCD23106110
Smiles:
O=C(N1CCn2c(C1)ncc2C(=O)O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: N[C@@H]1CN(C[C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
N[C@@H]1CN(C[C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: COc1cc(C(=O)N)c(c(c1OC)F)N
Complexity: 239
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C(=O)N)c(c(c1OC)F)N
Complexity:
239
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7