N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide

C12H14N4O3 — CID 110691766

IUPACN-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]nc2C)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-7-11(15-16-14-7)12(17)13-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyFBSREQGOQVXEIW-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.38
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide (PubChem CID 110691766) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
PubChem CID110691766
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]nc2C)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-7-11(15-16-14-7)12(17)13-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyFBSREQGOQVXEIW-UHFFFAOYSA-N
XLogP1.38
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-5-methyl-2H-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-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392914
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220
3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 23908681
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide (CID 110691766) is N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide is COc1ccc(NC(=O)c2n[nH]nc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is FBSREQGOQVXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-11(15-16-14-7)12(17)13-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110691766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).