AC56722
723286-68-8 | Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC56722
ChemicalName
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CasNumber
723286-68-8
MolecularFormula
C8H12N4O2
MolecularWeight
196.2065
MdlNumber
MFCD08273912
Smiles
CCOC(=O)c1nnc2n1CCNC2
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.9
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CatalogNumber: AC56722
ChemicalName: Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CasNumber: 723286-68-8
MolecularFormula: C8H12N4O2
MolecularWeight: 196.2065
MdlNumber: MFCD08273912
Smiles: CCOC(=O)c1nnc2n1CCNC2
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.9
CatalogNumber:
AC56722
ChemicalName:
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CasNumber:
723286-68-8
MolecularFormula:
C8H12N4O2
MolecularWeight:
196.2065
MdlNumber:
MFCD08273912
Smiles:
CCOC(=O)c1nnc2n1CCNC2
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.9
CatalogNumber: AC56724
ChemicalName: 3-(N,O-Dimethylhydroxylaminocarbonyl)phenylboronic acid
CasNumber: 723281-57-0
MolecularFormula: C9H12BNO4
MolecularWeight: 209.0069
MdlNumber: MFCD04115699
Smiles: CON(C(=O)c1cccc(c1)B(O)O)C
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AC56724
ChemicalName:
3-(N,O-Dimethylhydroxylaminocarbonyl)phenylboronic acid
CasNumber:
723281-57-0
MolecularFormula:
C9H12BNO4
MolecularWeight:
209.0069
MdlNumber:
MFCD04115699
Smiles:
CON(C(=O)c1cccc(c1)B(O)O)C
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CSc1cccc(c1)NC(=O)c1cccc(c1)C
Complexity: __
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Smiles:
CSc1cccc(c1)NC(=O)c1cccc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cccc(c1)C(=O)Nc1ccc(c(c1)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cccc(c1)C(=O)Nc1ccc(c(c1)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__