AA53346
1215852-11-1 | 7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8h)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA53346
ChemicalName
7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8h)-dicarboxylate
CasNumber
1215852-11-1
MolecularFormula
C13H20N4O4
MolecularWeight
296.3223
MdlNumber
MFCD11616512
Smiles
CCOC(=O)c1nnc2n1CCN(C2)C(=O)OC(C)(C)C
Complexity
410
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
0.4
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CatalogNumber: AA53346
ChemicalName: 7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8h)-dicarboxylate
CasNumber: 1215852-11-1
MolecularFormula: C13H20N4O4
MolecularWeight: 296.3223
MdlNumber: MFCD11616512
Smiles: CCOC(=O)c1nnc2n1CCN(C2)C(=O)OC(C)(C)C
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 0.4
CatalogNumber:
AA53346
ChemicalName:
7-tert-Butyl 3-ethyl 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,7(8h)-dicarboxylate
CasNumber:
1215852-11-1
MolecularFormula:
C13H20N4O4
MolecularWeight:
296.3223
MdlNumber:
MFCD11616512
Smiles:
CCOC(=O)c1nnc2n1CCN(C2)C(=O)OC(C)(C)C
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(s1)CCN.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(s1)CCN.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA53349
ChemicalName: 6-Bromo-4-chloropyrido[2,3-d]pyrimidine
CasNumber: 1215787-31-7
MolecularFormula: C7H3BrClN3
MolecularWeight: 244.47582
MdlNumber: MFCD11040200
Smiles: Brc1cnc2c(c1)c(Cl)ncn2
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AA53349
ChemicalName:
6-Bromo-4-chloropyrido[2,3-d]pyrimidine
CasNumber:
1215787-31-7
MolecularFormula:
C7H3BrClN3
MolecularWeight:
244.47582
MdlNumber:
MFCD11040200
Smiles:
Brc1cnc2c(c1)c(Cl)ncn2
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
2.5