N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide

C17H15N5O2 — CID 56811941

IUPACN-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide
SMILESNC(=O)C(NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C17H15N5O2/c18-16(23)15(12-7-3-1-4-8-12)19-17(24)14-11-22(21-20-14)13-9-5-2-6-10-13/h1-11,15H,(H2,18,23)(H,19,24)
InChIKeyLBXCNWGZHOIBRV-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.22
Rot. Bonds5

About N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide (PubChem CID 56811941) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide
PubChem CID56811941
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide
SMILESNC(=O)C(NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C17H15N5O2/c18-16(23)15(12-7-3-1-4-8-12)19-17(24)14-11-22(21-20-14)13-9-5-2-6-10-13/h1-11,15H,(H2,18,23)(H,19,24)
InChIKeyLBXCNWGZHOIBRV-UHFFFAOYSA-N
XLogP1.22
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43360787
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N-[(2S)-1-hydroxybutan-2-yl]-1-phenyltriazole-4-carboxamide
CID 104981237
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-cyano-1-phenyltriazole-4-carboxamide
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CID 46407148
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
CID 51492407
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43067824
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CID 39087725

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide (CID 56811941) is N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide is NC(=O)C(NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is LBXCNWGZHOIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-16(23)15(12-7-3-1-4-8-12)19-17(24)14-11-22(21-20-14)13-9-5-2-6-10-13/h1-11,15H,(H2,18,23)(H,19,24).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56811941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).