7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C13H10ClFN4O — CID 163358348

IUPAC7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3ccc(F)c(Cl)c3)ccn12
InChIInChI=1S/C13H10ClFN4O/c1-2-11-16-17-12-13(20)18(5-6-19(11)12)8-3-4-10(15)9(14)7-8/h3-7H,2H2,1H3
InChIKeyFHGAGLFDEWEVLG-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.24
Rot. Bonds2

About 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 163358348) has the molecular formula C13H10ClFN4O and a molecular weight of 292.70 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID163358348
Molecular FormulaC13H10ClFN4O
Molecular Weight292.70 g/mol
Exact Mass292.05
IUPAC Name7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCCc1nnc2c(=O)n(-c3ccc(F)c(Cl)c3)ccn12
InChIInChI=1S/C13H10ClFN4O/c1-2-11-16-17-12-13(20)18(5-6-19(11)12)8-3-4-10(15)9(14)7-8/h3-7H,2H2,1H3
InChIKeyFHGAGLFDEWEVLG-UHFFFAOYSA-N
XLogP2.24
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one 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

7-(4-bromophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 172880503
7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585058
7-(3,4-dimethylphenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 163358400
(3S)-N-(4-chlorophenyl)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
CID 94079577
3-[(4-chlorophenyl)methylsulfanyl]-7-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806224
3-ethylsulfanyl-7-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 163355191
7-(3-chloro-4-methylphenyl)-2-ethyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 163358339
3-benzylsulfanyl-7-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806381
N-(3-chloro-4-methylphenyl)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
CID 50795835
7-(4-chlorophenyl)-3-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 165434009
(3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide
CID 94079642
N-(3-chloro-4-methoxyphenyl)-4-[7-(4-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
CID 50795805

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 163358348) is 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CCc1nnc2c(=O)n(-c3ccc(F)c(Cl)c3)ccn12.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is FHGAGLFDEWEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O/c1-2-11-16-17-12-13(20)18(5-6-19(11)12)8-3-4-10(15)9(14)7-8/h3-7H,2H2,1H3.
What are the key properties of 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 292.70 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 163358348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).