5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole

C11H12FN3O — CID 65432102

IUPAC5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
SMILESCCc1nc(-c2c(F)cccc2OC)n[nH]1
InChIInChI=1S/C11H12FN3O/c1-3-9-13-11(15-14-9)10-7(12)5-4-6-8(10)16-2/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyYVUBYVMULPNVKR-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.18
Rot. Bonds3

About 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole

5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 65432102) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID65432102
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
SMILESCCc1nc(-c2c(F)cccc2OC)n[nH]1
InChIInChI=1S/C11H12FN3O/c1-3-9-13-11(15-14-9)10-7(12)5-4-6-8(10)16-2/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyYVUBYVMULPNVKR-UHFFFAOYSA-N
XLogP2.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-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-(2-fluoro-6-methoxyphenyl)-5-propyl-1H-1,2,4-triazole
CID 65432295
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
3-(2-fluoro-6-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 65432489
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
3-(2-fluoro-6-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389344
5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
CID 134329207
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
4-amino-N-[[3-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569660
5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569309
6-(2,6-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522257
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80523543

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole (CID 65432102) is 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole is CCc1nc(-c2c(F)cccc2OC)n[nH]1.
What is the InChIKey of 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is YVUBYVMULPNVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-3-9-13-11(15-14-9)10-7(12)5-4-6-8(10)16-2/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole?
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 221.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 65432102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).