AI33685
1391732-98-1 | 5-tert-Butyl 7-methyl 1-ethyl-6,7-dihydro-1h-[1,2,3]triazolo[4,5-c]pyridine-5,7(4h)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI33685
ChemicalName
5-tert-Butyl 7-methyl 1-ethyl-6,7-dihydro-1h-[1,2,3]triazolo[4,5-c]pyridine-5,7(4h)-dicarboxylate
CasNumber
1391732-98-1
MolecularFormula
C14H22N4O4
MolecularWeight
310.3489
MdlNumber
MFCD23378422
Smiles
COC(=O)C1CN(Cc2c1n(CC)nn2)C(=O)OC(C)(C)C
Complexity
437
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AI33685
ChemicalName: 5-tert-Butyl 7-methyl 1-ethyl-6,7-dihydro-1h-[1,2,3]triazolo[4,5-c]pyridine-5,7(4h)-dicarboxylate
CasNumber: 1391732-98-1
MolecularFormula: C14H22N4O4
MolecularWeight: 310.3489
MdlNumber: MFCD23378422
Smiles: COC(=O)C1CN(Cc2c1n(CC)nn2)C(=O)OC(C)(C)C
Complexity: 437
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AI33685
ChemicalName:
5-tert-Butyl 7-methyl 1-ethyl-6,7-dihydro-1h-[1,2,3]triazolo[4,5-c]pyridine-5,7(4h)-dicarboxylate
CasNumber:
1391732-98-1
MolecularFormula:
C14H22N4O4
MolecularWeight:
310.3489
MdlNumber:
MFCD23378422
Smiles:
COC(=O)C1CN(Cc2c1n(CC)nn2)C(=O)OC(C)(C)C
Complexity:
437
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
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Smiles: NNCc1cnn(c1)C.Cl.Cl.Cl
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Smiles:
NNCc1cnn(c1)C.Cl.Cl.Cl
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Smiles: FC1(F)COCc2c1c[nH]c(=N)n2
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FC1(F)COCc2c1c[nH]c(=N)n2
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Smiles: OC(=O)C[C@@H]1O[C@@H]2[C@@H](C1)CN(CC2)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
OC(=O)C[C@@H]1O[C@@H]2[C@@H](C1)CN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__