N-pentan-2-yl-2-phenyltriazole-4-carboxamide

C14H18N4O — CID 18189508

IUPACN-pentan-2-yl-2-phenyltriazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-3-7-11(2)16-14(19)13-10-15-18(17-13)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,16,19)
InChIKeySTDIMUXMNRXRRA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds5

About N-pentan-2-yl-2-phenyltriazole-4-carboxamide

N-pentan-2-yl-2-phenyltriazole-4-carboxamide (PubChem CID 18189508) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-pentan-2-yl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-phenyltriazole-4-carboxamide
PubChem CID18189508
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-pentan-2-yl-2-phenyltriazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-3-7-11(2)16-14(19)13-10-15-18(17-13)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,16,19)
InChIKeySTDIMUXMNRXRRA-UHFFFAOYSA-N
XLogP2.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-pentan-2-yl-2-phenyltriazole-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-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-(1-amino-4-methylpentan-2-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 119588205
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581
2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
CID 155961647
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-phenyltriazole-4-carboxamide
CID 75440130
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenyltriazole-4-carboxamide
CID 46469924
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide
CID 51207681
2-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]triazole-4-carboxamide
CID 46456875
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
4-pentan-2-yl-2-phenyltriazole
CID 163429787
3-methyl-1-(2-phenyltriazol-4-yl)but-3-en-1-one
CID 105112598

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-pentan-2-yl-2-phenyltriazole-4-carboxamide (CID 18189508) is N-pentan-2-yl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-pentan-2-yl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-pentan-2-yl-2-phenyltriazole-4-carboxamide is CCCC(C)NC(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-pentan-2-yl-2-phenyltriazole-4-carboxamide?
The InChIKey is STDIMUXMNRXRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-7-11(2)16-14(19)13-10-15-18(17-13)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H,16,19).
What are the key properties of N-pentan-2-yl-2-phenyltriazole-4-carboxamide?
N-pentan-2-yl-2-phenyltriazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 18189508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).