N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide

C16H13N5O2 — CID 24661146

IUPACN-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13N5O2/c17-15(22)11-6-8-12(9-7-11)19-16(23)14-10-18-21(20-14)13-4-2-1-3-5-13/h1-10H,(H2,17,22)(H,19,23)
InChIKeyLAEIXUJEHIGSCY-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.62
Rot. Bonds4

About N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide

N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 24661146) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
PubChem CID24661146
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13N5O2/c17-15(22)11-6-8-12(9-7-11)19-16(23)14-10-18-21(20-14)13-4-2-1-3-5-13/h1-10H,(H2,17,22)(H,19,23)
InChIKeyLAEIXUJEHIGSCY-UHFFFAOYSA-N
XLogP1.62
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 46421897
N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 51255621
N-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 86807567
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide
CID 122286360
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 51295625
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 18152599
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 46684120

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide (CID 24661146) is N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is LAEIXUJEHIGSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-15(22)11-6-8-12(9-7-11)19-16(23)14-10-18-21(20-14)13-4-2-1-3-5-13/h1-10H,(H2,17,22)(H,19,23).
What are the key properties of N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide?
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 24661146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).