2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

C12H15N3O — CID 65363176

IUPAC2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCCc1ccc(CC(O)c2ncn[nH]2)cc1
InChIInChI=1S/C12H15N3O/c1-2-9-3-5-10(6-4-9)7-11(16)12-13-8-14-15-12/h3-6,8,11,16H,2,7H2,1H3,(H,13,14,15)
InChIKeyJFFNKPCIMWDZNC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.64
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 65363176) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID65363176
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCCc1ccc(CC(O)c2ncn[nH]2)cc1
InChIInChI=1S/C12H15N3O/c1-2-9-3-5-10(6-4-9)7-11(16)12-13-8-14-15-12/h3-6,8,11,16H,2,7H2,1H3,(H,13,14,15)
InChIKeyJFFNKPCIMWDZNC-UHFFFAOYSA-N
XLogP1.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol 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-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65362826
2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65479320
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 82920324
1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 65362645
3,3,3-trifluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 140635081
2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363113
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
2-(4-bromophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362970
3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 65362596
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 65363176) is 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is CCc1ccc(CC(O)c2ncn[nH]2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is JFFNKPCIMWDZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-9-3-5-10(6-4-9)7-11(16)12-13-8-14-15-12/h3-6,8,11,16H,2,7H2,1H3,(H,13,14,15).
What are the key properties of 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 217.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 65363176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).