N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide

C11H12N4O3 — CID 23908681

IUPACN-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn[nH]2)c(OC)c1
InChIInChI=1S/C11H12N4O3/c1-17-7-3-4-8(9(5-7)18-2)14-11(16)10-12-6-13-15-10/h3-6H,1-2H3,(H,14,16)(H,12,13,15)
InChIKeySQPXWFJLANMBMF-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.07
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide

N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 23908681) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID23908681
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ncn[nH]2)c(OC)c1
InChIInChI=1S/C11H12N4O3/c1-17-7-3-4-8(9(5-7)18-2)14-11(16)10-12-6-13-15-10/h3-6H,1-2H3,(H,14,16)(H,12,13,15)
InChIKeySQPXWFJLANMBMF-UHFFFAOYSA-N
XLogP1.07
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-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-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide
CID 72847750
3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152
4,5-dimethoxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63648089
N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide
CID 50971628
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(2,4-dimethoxyphenyl)-2-methoxypyridine-4-carboxamide
CID 84580517
N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691766
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
N-(2,4-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36805049
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 23908681) is N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide is COc1ccc(NC(=O)c2ncn[nH]2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SQPXWFJLANMBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-7-3-4-8(9(5-7)18-2)14-11(16)10-12-6-13-15-10/h3-6H,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 1.07, 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)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 23908681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).