2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide

C19H17N7O — CID 124759844

IUPAC2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
SMILESO=C(N[C@H](Cn1nccn1)c1ccccc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H17N7O/c27-19(17-13-22-26(24-17)16-9-5-2-6-10-16)23-18(14-25-20-11-12-21-25)15-7-3-1-4-8-15/h1-13,18H,14H2,(H,23,27)/t18-/m1/s1
InChIKeyIEVOWWSDBHLFOU-GOSISDBHSA-N
MW359.39 g/mol
LogP2.03
Rot. Bonds6

About 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide

2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 124759844) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
PubChem CID124759844
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
SMILESO=C(N[C@H](Cn1nccn1)c1ccccc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H17N7O/c27-19(17-13-22-26(24-17)16-9-5-2-6-10-16)23-18(14-25-20-11-12-21-25)15-7-3-1-4-8-15/h1-13,18H,14H2,(H,23,27)/t18-/m1/s1
InChIKeyIEVOWWSDBHLFOU-GOSISDBHSA-N
XLogP2.03
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-pentan-2-yl-2-phenyltriazole-4-carboxamide
CID 18189508
2-[[2-(4-chlorophenyl)triazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154877144
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 119588205
2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
CID 155961647
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide (CID 124759844) is 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide is O=C(N[C@H](Cn1nccn1)c1ccccc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is IEVOWWSDBHLFOU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17N7O/c27-19(17-13-22-26(24-17)16-9-5-2-6-10-16)23-18(14-25-20-11-12-21-25)15-7-3-1-4-8-15/h1-13,18H,14H2,(H,23,27)/t18-/m1/s1.
What are the key properties of 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide?
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 124759844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).