N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide

C14H18N4O — CID 42656774

IUPACN-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)N(C)C(C)C)n1
InChIInChI=1S/C14H18N4O/c1-10(2)17(4)14(19)13-15-9-18(16-13)12-8-6-5-7-11(12)3/h5-10H,1-4H3
InChIKeyWFRAIIDFJFCUER-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide

N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 42656774) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID42656774
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)N(C)C(C)C)n1
InChIInChI=1S/C14H18N4O/c1-10(2)17(4)14(19)13-15-9-18(16-13)12-8-6-5-7-11(12)3/h5-10H,1-4H3
InChIKeyWFRAIIDFJFCUER-UHFFFAOYSA-N
XLogP2.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2-methylphenyl)-N-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 42656774) is N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1cnc(C(=O)N(C)C(C)C)n1.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is WFRAIIDFJFCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)17(4)14(19)13-15-9-18(16-13)12-8-6-5-7-11(12)3/h5-10H,1-4H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42656774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).