1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole

C10H11N3O — CID 70266988

IUPAC1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
SMILESCOc1ccccc1-n1cnc(C)n1
InChIInChI=1S/C10H11N3O/c1-8-11-7-13(12-8)9-5-3-4-6-10(9)14-2/h3-7H,1-2H3
InChIKeyKLBNNEFZMVIQCV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.58
Rot. Bonds2

About 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole

1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole (PubChem CID 70266988) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
PubChem CID70266988
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
SMILESCOc1ccccc1-n1cnc(C)n1
InChIInChI=1S/C10H11N3O/c1-8-11-7-13(12-8)9-5-3-4-6-10(9)14-2/h3-7H,1-2H3
InChIKeyKLBNNEFZMVIQCV-UHFFFAOYSA-N
XLogP1.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole 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

3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)aniline
CID 59577818
2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83821894
1-(2-iodophenyl)-3-methyl-1,2,4-triazole
CID 166607417
5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine
CID 70349451
1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole
CID 141280998
4-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)benzoic acid
CID 82513143
1-(4-isothiocyanato-2-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 86649897
2-(2-methoxyphenyl)pyrazolo[3,4-b]pyridine
CID 70093839
1-(2-bromo-3-methylphenyl)-3-methyl-1,2,4-triazole
CID 166607450
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800
1-(2-ethyl-3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazole;[2-fluoro-3-methoxy-6-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanol
CID 163528947
1-(2-methoxyphenyl)-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
CID 142724071

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole (CID 70266988) is 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole is COc1ccccc1-n1cnc(C)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole?
The InChIKey is KLBNNEFZMVIQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-11-7-13(12-8)9-5-3-4-6-10(9)14-2/h3-7H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole?
1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 70266988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).