N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C14H11N5O — CID 86992066

IUPACN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C14H11N5O/c20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20)
InChIKeyLDGAAMMSVIUSAT-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds3

About N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 86992066) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID86992066
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C14H11N5O/c20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20)
InChIKeyLDGAAMMSVIUSAT-UHFFFAOYSA-N
XLogP2.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 707946
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-3-carboxamide
CID 6236265
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
1-Phenyl-2-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 648322
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
2-(3-Ethyl-ureido)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid amide
CID 44571956
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 86992066) is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LDGAAMMSVIUSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-9H,(H2,16,17,18,19,20).
What are the key properties of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 265.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 86992066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).