AD92268
87253-62-1 | 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD92268
ChemicalName
5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CasNumber
87253-62-1
MolecularFormula
C8H8N4O2
MolecularWeight
192.1747
MdlNumber
MFCD00462463
Smiles
Cc1cc(C)n2c(n1)nc(n2)C(=O)O
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AD92268
ChemicalName: 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CasNumber: 87253-62-1
MolecularFormula: C8H8N4O2
MolecularWeight: 192.1747
MdlNumber: MFCD00462463
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)O
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AD92268
ChemicalName:
5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CasNumber:
87253-62-1
MolecularFormula:
C8H8N4O2
MolecularWeight:
192.1747
MdlNumber:
MFCD00462463
Smiles:
Cc1cc(C)n2c(n1)nc(n2)C(=O)O
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: __
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Smiles: [C-]#[N+]c1ccc2c(c1)ccn2C
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Smiles:
[C-]#[N+]c1ccc2c(c1)ccn2C
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Smiles: CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
Complexity: __
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Smiles:
CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: OC(=O)CCC=CCC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC=CCC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__