N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide

C12H14N4O3 — CID 110691494

IUPACN-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(C)n2)cc1OC
InChIInChI=1S/C12H14N4O3/c1-16-13-7-9(15-16)12(17)14-8-4-5-10(18-2)11(6-8)19-3/h4-7H,1-3H3,(H,14,17)
InChIKeyCFAORGIFMUMZFO-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.08
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide (PubChem CID 110691494) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide
PubChem CID110691494
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(C)n2)cc1OC
InChIInChI=1S/C12H14N4O3/c1-16-13-7-9(15-16)12(17)14-8-4-5-10(18-2)11(6-8)19-3/h4-7H,1-3H3,(H,14,17)
InChIKeyCFAORGIFMUMZFO-UHFFFAOYSA-N
XLogP1.08
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-2-methyltriazole-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

4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
CID 46416423
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
(3,4-dimethoxyphenyl)urea
CID 21197430
2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17418781

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide (CID 110691494) is N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide?
The InChIKey is CFAORGIFMUMZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16-13-7-9(15-16)12(17)14-8-4-5-10(18-2)11(6-8)19-3/h4-7H,1-3H3,(H,14,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 110691494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).