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

C14H11N5O — CID 935059

IUPACN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C14H11N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h1-9H,(H2,16,17,18,19,20)
InChIKeyBAQBCWWGOQNMJV-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds3

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

N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 935059) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID935059
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC NameN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C14H11N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h1-9H,(H2,16,17,18,19,20)
InChIKeyBAQBCWWGOQNMJV-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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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 935059) is N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(-c2ccncc2)n1)c1ccccc1.
What is the InChIKey of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is BAQBCWWGOQNMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-13(11-4-2-1-3-5-11)17-14-16-12(18-19-14)10-6-8-15-9-7-10/h1-9H,(H2,16,17,18,19,20).
What are the key properties of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzamide?
N-(5-pyridin-4-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-4-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 935059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).