3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine

C10H7ClFN3O — CID 82477200

IUPAC3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(Cl)n2)cc1F
InChIInChI=1S/C10H7ClFN3O/c1-16-9-3-2-6(4-7(9)12)8-5-13-15-10(11)14-8/h2-5H,1H3
InChIKeyUFRVGNCMEBBYRU-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.34
Rot. Bonds2

About 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine

3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine (PubChem CID 82477200) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine
PubChem CID82477200
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(Cl)n2)cc1F
InChIInChI=1S/C10H7ClFN3O/c1-16-9-3-2-6(4-7(9)12)8-5-13-15-10(11)14-8/h2-5H,1H3
InChIKeyUFRVGNCMEBBYRU-UHFFFAOYSA-N
XLogP2.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine (CID 82477200) is 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine is COc1ccc(-c2cnnc(Cl)n2)cc1F.
What is the InChIKey of 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine?
The InChIKey is UFRVGNCMEBBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c1-16-9-3-2-6(4-7(9)12)8-5-13-15-10(11)14-8/h2-5H,1H3.
What are the key properties of 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine?
3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine has a molecular weight of 239.64 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 82477200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).