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

C11H12FN3O — CID 62920233

IUPAC5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCCc1nc(-c2ccc(OC)c(F)c2)n[nH]1
InChIInChI=1S/C11H12FN3O/c1-3-10-13-11(15-14-10)7-4-5-9(16-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyWNJWWZJBIPGDOJ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.18
Rot. Bonds3

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

5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 62920233) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID62920233
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCCc1nc(-c2ccc(OC)c(F)c2)n[nH]1
InChIInChI=1S/C11H12FN3O/c1-3-10-13-11(15-14-10)7-4-5-9(16-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyWNJWWZJBIPGDOJ-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 ≤ 500221.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-3-(3-fluoro-4-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

4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-fluoroaniline
CID 63187974
2-[3-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96663706
3-[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 107923108
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
CID 65432102
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 65096680
3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
CID 119070580
4-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 113299972
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
5-(chloromethyl)-3-(3,4-difluorophenyl)-1H-1,2,4-triazole
CID 79599919
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole (CID 62920233) is 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole is CCc1nc(-c2ccc(OC)c(F)c2)n[nH]1.
What is the InChIKey of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is WNJWWZJBIPGDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-3-10-13-11(15-14-10)7-4-5-9(16-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole?
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 221.24 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-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 62920233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).