1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide

C16H15N5O — CID 42880908

IUPAC1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C16H15N5O/c1-12-5-2-3-7-14(12)21-11-19-15(20-21)16(22)18-10-13-6-4-8-17-9-13/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyCFWFJUVUCUOIOB-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.90
Rot. Bonds4

About 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide

1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42880908) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42880908
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C16H15N5O/c1-12-5-2-3-7-14(12)21-11-19-15(20-21)16(22)18-10-13-6-4-8-17-9-13/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyCFWFJUVUCUOIOB-UHFFFAOYSA-N
XLogP1.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880889
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 24538480
9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide (CID 42880908) is 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1cnc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is CFWFJUVUCUOIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-5-2-3-7-14(12)21-11-19-15(20-21)16(22)18-10-13-6-4-8-17-9-13/h2-9,11H,10H2,1H3,(H,18,22).
What are the key properties of 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).