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

C14H18N4O — CID 42656769

IUPACN-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)N(C)C(C)C)n2)cc1
InChIInChI=1S/C14H18N4O/c1-10(2)17(4)14(19)13-15-9-18(16-13)12-7-5-11(3)6-8-12/h5-10H,1-4H3
InChIKeyQGFIFSNWVFTYOE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.06
Rot. Bonds3

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

N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 42656769) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID42656769
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)N(C)C(C)C)n2)cc1
InChIInChI=1S/C14H18N4O/c1-10(2)17(4)14(19)13-15-9-18(16-13)12-7-5-11(3)6-8-12/h5-10H,1-4H3
InChIKeyQGFIFSNWVFTYOE-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-(4-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

Related Compounds

N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 686169
2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-
CID 645891
US11059809, Example 1
CID 137367554
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
Azepan-1-yl-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 2542208
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
N-(3,5-dimethylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990151
(S)-1-((3R,4R)-1-(4-(3-methyl-1H-1,2,4-triazol-1-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile
CID 44443350
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 44601554
1-[3-(benzylamino)propyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 45281067
US11071721, Example 90
CID 134563941
1-[3-(3,4-dimethylanilino)propyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 45281072

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 42656769) is N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(=O)N(C)C(C)C)n2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is QGFIFSNWVFTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)17(4)14(19)13-15-9-18(16-13)12-7-5-11(3)6-8-12/h5-10H,1-4H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
N-methyl-1-(4-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-(4-methylphenyl)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42656769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).