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

C15H13N5O — CID 86992065

IUPAC4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-10-5-7-11(8-6-10)14(21)18-15-17-13(19-20-15)12-4-2-3-9-16-12/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyZHJZCCKKIKLLRX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.43
Rot. Bonds3

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

4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 86992065) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID86992065
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-10-5-7-11(8-6-10)14(21)18-15-17-13(19-20-15)12-4-2-3-9-16-12/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKeyZHJZCCKKIKLLRX-UHFFFAOYSA-N
XLogP2.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 86992070
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 55843797
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
ethane;6-methyl-1,2,3,4-tetrahydronaphthalene;molecular hydrogen;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 142506685
3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
CID 154858086
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583
N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 47057844
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36861383

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 86992065) is 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is ZHJZCCKKIKLLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-5-7-11(8-6-10)14(21)18-15-17-13(19-20-15)12-4-2-3-9-16-12/h2-9H,1H3,(H2,17,18,19,20,21).
What are the key properties of 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 86992065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).