1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole

C11H13N3 — CID 173307383

IUPAC1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
SMILESCc1ccccc1CCn1cncn1
InChIInChI=1S/C11H13N3/c1-10-4-2-3-5-11(10)6-7-14-9-12-8-13-14/h2-5,8-9H,6-7H2,1H3
InChIKeyMYNPZRQICXFUBN-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole

1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole (PubChem CID 173307383) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
PubChem CID173307383
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
SMILESCc1ccccc1CCn1cncn1
InChIInChI=1S/C11H13N3/c1-10-4-2-3-5-11(10)6-7-14-9-12-8-13-14/h2-5,8-9H,6-7H2,1H3
InChIKeyMYNPZRQICXFUBN-UHFFFAOYSA-N
XLogP1.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-methylphenyl)ethyl]-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

(2-methylphenyl)methyl-(1,2,4-triazol-1-yl)silane
CID 150697284
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
5-[2-(1,2,4-triazol-1-yl)ethyl]-1-[2-[2-(trifluoromethyl)phenyl]ethyl]tetrazole
CID 166399867
N-[(2-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride
CID 115595731
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane
CID 91413155
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 4913132
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 91779093
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole (CID 173307383) is 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole is Cc1ccccc1CCn1cncn1.
What is the InChIKey of 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
The InChIKey is MYNPZRQICXFUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-10-4-2-3-5-11(10)6-7-14-9-12-8-13-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole has a molecular weight of 187.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 173307383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).