AB72461
4342-03-4 | 5-[(1E)-dimethyltriaz-1-en-1-yl]-1H-imidazole-4-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AB72461
ChemicalName
5-[(1E)-dimethyltriaz-1-en-1-yl]-1H-imidazole-4-carboxamide
CasNumber
4342-03-4
MolecularFormula
C6H10N6O
MolecularWeight
182.1832
MdlNumber
MFCD00057167
Smiles
CN(/N=N/c1nc[nH]c1C(=O)N)C
Complexity
215
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.6
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CatalogNumber: AB72461
ChemicalName: 5-[(1E)-dimethyltriaz-1-en-1-yl]-1H-imidazole-4-carboxamide
CasNumber: 4342-03-4
MolecularFormula: C6H10N6O
MolecularWeight: 182.1832
MdlNumber: MFCD00057167
Smiles: CN(/N=N/c1nc[nH]c1C(=O)N)C
Complexity: 215
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.6
CatalogNumber:
AB72461
ChemicalName:
5-[(1E)-dimethyltriaz-1-en-1-yl]-1H-imidazole-4-carboxamide
CasNumber:
4342-03-4
MolecularFormula:
C6H10N6O
MolecularWeight:
182.1832
MdlNumber:
MFCD00057167
Smiles:
CN(/N=N/c1nc[nH]c1C(=O)N)C
Complexity:
215
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c([2H])cc(cc1[2H])c1coc2c(c1=O)ccc(c2[2H])O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c([2H])cc(cc1[2H])c1coc2c(c1=O)ccc(c2[2H])O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB72464
ChemicalName: H-D-Ala-OEt HCl
CasNumber: 6331-09-5
MolecularFormula: C5H12ClNO2
MolecularWeight: 153.60727999999997
MdlNumber: MFCD00190725
Smiles: CCOC(=O)[C@H](N)C.Cl
Complexity: 82.5
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB72464
ChemicalName:
H-D-Ala-OEt HCl
CasNumber:
6331-09-5
MolecularFormula:
C5H12ClNO2
MolecularWeight:
153.60727999999997
MdlNumber:
MFCD00190725
Smiles:
CCOC(=O)[C@H](N)C.Cl
Complexity:
82.5
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__