[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol

C12H15N3O — CID 50974728

IUPAC[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(C)c(-n2nc(C)nc2CO)c1
InChIInChI=1S/C12H15N3O/c1-8-4-5-9(2)11(6-8)15-12(7-16)13-10(3)14-15/h4-6,16H,7H2,1-3H3
InChIKeyFJPIGTJCZMEQQD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.68
Rot. Bonds2

About [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol

[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 50974728) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID50974728
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(C)c(-n2nc(C)nc2CO)c1
InChIInChI=1S/C12H15N3O/c1-8-4-5-9(2)11(6-8)15-12(7-16)13-10(3)14-15/h4-6,16H,7H2,1-3H3
InChIKeyFJPIGTJCZMEQQD-UHFFFAOYSA-N
XLogP1.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol 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-[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82483973
2-[2-(2,5-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 82488792
[5-methyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
CID 50984737
1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole
CID 55029368
[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 82195856
2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
CID 54146141
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
2-(2,5-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420377
2-[1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82420431
1-(2,5-dimethylphenyl)-4-ethyl-5-oxo-1,2,4-triazole-3-carboxylic acid
CID 82484998
3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 140582477
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol (CID 50974728) is [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol is Cc1ccc(C)c(-n2nc(C)nc2CO)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is FJPIGTJCZMEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-4-5-9(2)11(6-8)15-12(7-16)13-10(3)14-15/h4-6,16H,7H2,1-3H3.
What are the key properties of [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol?
[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50974728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).