4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole

C15H21N3 — CID 112717080

IUPAC4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole
SMILESCCc1ccc(CC)c(CCc2cn(C)nn2)c1
InChIInChI=1S/C15H21N3/c1-4-12-6-7-13(5-2)14(10-12)8-9-15-11-18(3)17-16-15/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyYHJQSQCDGGMEJR-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.73
Rot. Bonds5

About 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole

4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole (PubChem CID 112717080) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole
PubChem CID112717080
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole
SMILESCCc1ccc(CC)c(CCc2cn(C)nn2)c1
InChIInChI=1S/C15H21N3/c1-4-12-6-7-13(5-2)14(10-12)8-9-15-11-18(3)17-16-15/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyYHJQSQCDGGMEJR-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole 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-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
CID 112719523
ethane;1-methyl-4-propyltriazole
CID 168923376
1-methyl-4-[2-(2,3,4-triethoxyphenyl)ethyl]triazole
CID 112718810
4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole
CID 112718489
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole
CID 112719344
2-(2,5-diethylphenyl)ethanamine
CID 117277667
4-[2-(1-methyltriazol-4-yl)ethyl]pyridin-2-amine
CID 107054471
4-[2-(3-bromophenyl)ethyl]-1-methyltriazole
CID 112717449
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895
1,3-dimethyl-4-[2-(1-methyltriazol-4-yl)ethyl]pyridin-1-ium
CID 118390204
4-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]-1-methyltriazole
CID 112719478

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole?
The IUPAC name of 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole (CID 112717080) is 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole.
What is the SMILES notation for 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole?
The canonical SMILES for 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole is CCc1ccc(CC)c(CCc2cn(C)nn2)c1.
What is the InChIKey of 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole?
The InChIKey is YHJQSQCDGGMEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-12-6-7-13(5-2)14(10-12)8-9-15-11-18(3)17-16-15/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole?
4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole has a molecular weight of 243.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole is sourced from PubChem (CID 112717080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).