1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C17H17N5O — CID 17015529

IUPAC1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C17H17N5O/c1-2-13-6-8-15(9-7-13)22-12-16(20-21-22)17(23)19-11-14-5-3-4-10-18-14/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyUYHJBMFWPSATIU-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.15
Rot. Bonds5

About 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 17015529) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID17015529
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C17H17N5O/c1-2-13-6-8-15(9-7-13)22-12-16(20-21-22)17(23)19-11-14-5-3-4-10-18-14/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyUYHJBMFWPSATIU-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)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

1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015530
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
1-(4-ethylphenyl)triazole-4-carbonyl chloride
CID 91895179
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 17015529) is 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CCc1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is UYHJBMFWPSATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-13-6-8-15(9-7-13)22-12-16(20-21-22)17(23)19-11-14-5-3-4-10-18-14/h3-10,12H,2,11H2,1H3,(H,19,23).
What are the key properties of 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 17015529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).