5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide

C10H11N5O — CID 110691661

IUPAC5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCc1cccnc1
InChIInChI=1S/C10H11N5O/c1-7-9(14-15-13-7)10(16)12-6-8-3-2-4-11-5-8/h2-5H,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeySQZJATBGZBWMFA-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.44
Rot. Bonds3

About 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide

5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide (PubChem CID 110691661) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
PubChem CID110691661
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCc1cccnc1
InChIInChI=1S/C10H11N5O/c1-7-9(14-15-13-7)10(16)12-6-8-3-2-4-11-5-8/h2-5H,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeySQZJATBGZBWMFA-UHFFFAOYSA-N
XLogP0.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-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

5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 175651298
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 110852012
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide (CID 110691661) is 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NCc1cccnc1.
What is the InChIKey of 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
The InChIKey is SQZJATBGZBWMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-9(14-15-13-7)10(16)12-6-8-3-2-4-11-5-8/h2-5H,6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide?
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).