N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide

C17H15N5O2 — CID 834179

IUPACN-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C17H15N5O2/c1-11-5-2-3-8-14(11)16(23)20-12-6-4-7-13(9-12)21-17(24)15-18-10-19-22-15/h2-10H,1H3,(H,20,23)(H,21,24)(H,18,19,22)
InChIKeyTVRBWCXYDXADLF-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.62
Rot. Bonds4

About N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 834179) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID834179
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccccc1C(=O)Nc1cccc(NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C17H15N5O2/c1-11-5-2-3-8-14(11)16(23)20-12-6-4-7-13(9-12)21-17(24)15-18-10-19-22-15/h2-10H,1H3,(H,20,23)(H,21,24)(H,18,19,22)
InChIKeyTVRBWCXYDXADLF-UHFFFAOYSA-N
XLogP2.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[3-oxo-3-(1-pyrrolidinyl)propyl]phenyl}-1H-1,2,4-triazole-5-carboxamide
CID 654181
N-[3-(4-morpholinylcarbonyl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 1517499
N-(4-acetylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 2984874
N-{4-[4-(2-fluorobenzoyl)-1-piperazinyl]phenyl}-1H-1,2,4-triazole-3-carboxamide
CID 2991105
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 834181
2,3-difluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787189
N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 46998939
N-benzoyl-1-(2,4-difluorophenyl)-1,2,4-triazole-3-carboxamide
CID 146162288
N-(2,3-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 754959
N-[(2-oxo-1,2-dihydro-3-quinolinyl)methyl]-N-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 2992297
N-{4-[(2-phenylethyl)carbamoyl]phenyl}-1H-1,2,4-triazole-3-carboxamide
CID 5157101
Cambridge id 7118045
CID 21212418

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 834179) is N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide is Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ncn[nH]2)c1.
What is the InChIKey of N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is TVRBWCXYDXADLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-5-2-3-8-14(11)16(23)20-12-6-4-7-13(9-12)21-17(24)15-18-10-19-22-15/h2-10H,1H3,(H,20,23)(H,21,24)(H,18,19,22).
What are the key properties of N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylbenzoyl)amino]phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 834179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).