5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide

C17H17N5O — CID 43007778

IUPAC5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC(C)c1ccncc1
InChIInChI=1S/C17H17N5O/c1-12(14-8-10-18-11-9-14)19-17(23)16-13(2)20-22(21-16)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,23)
InChIKeyHYQCIBGZNDPBGU-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.46
Rot. Bonds4

About 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide

5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide (PubChem CID 43007778) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide
PubChem CID43007778
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC(C)c1ccncc1
InChIInChI=1S/C17H17N5O/c1-12(14-8-10-18-11-9-14)19-17(23)16-13(2)20-22(21-16)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,23)
InChIKeyHYQCIBGZNDPBGU-UHFFFAOYSA-N
XLogP2.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)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

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 42948366
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide
CID 23608005
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
2-(4-chlorophenyl)-5-(hydroxymethyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 92717279
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide (CID 43007778) is 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)NC(C)c1ccncc1.
What is the InChIKey of 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is HYQCIBGZNDPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12(14-8-10-18-11-9-14)19-17(23)16-13(2)20-22(21-16)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,23).
What are the key properties of 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide?
5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 43007778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).