8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine

C13H9Cl2FN4 — CID 107989241

IUPAC8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nc(Cl)c2nnc(-c3ccc(Cl)c(F)c3)n2c1C
InChIInChI=1S/C13H9Cl2FN4/c1-6-7(2)20-12(18-19-13(20)11(15)17-6)8-3-4-9(14)10(16)5-8/h3-5H,1-2H3
InChIKeyHFZVUIALFRUAHD-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.85
Rot. Bonds1

About 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 107989241) has the molecular formula C13H9Cl2FN4 and a molecular weight of 311.15 g/mol. Its IUPAC name is 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID107989241
Molecular FormulaC13H9Cl2FN4
Molecular Weight311.15 g/mol
Exact Mass310.02
IUPAC Name8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nc(Cl)c2nnc(-c3ccc(Cl)c(F)c3)n2c1C
InChIInChI=1S/C13H9Cl2FN4/c1-6-7(2)20-12(18-19-13(20)11(15)17-6)8-3-4-9(14)10(16)5-8/h3-5H,1-2H3
InChIKeyHFZVUIALFRUAHD-UHFFFAOYSA-N
XLogP3.85
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine 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

8-chloro-3-(4-chloro-2,5-difluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 82771182
8-chloro-3-(3-chloro-2-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81264986
3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 107995852
3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 82059548
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635
[5-(4-chloro-3-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 107995965
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
ethyl 8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate
CID 81429584
2-[[5-(4-chloro-3-fluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107989338
[2-(4-chloro-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000257
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
6-chloro-3-(3-fluoro-4-methoxyphenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 81442160

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 107989241) is 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nc(Cl)c2nnc(-c3ccc(Cl)c(F)c3)n2c1C.
What is the InChIKey of 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HFZVUIALFRUAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN4/c1-6-7(2)20-12(18-19-13(20)11(15)17-6)8-3-4-9(14)10(16)5-8/h3-5H,1-2H3.
What are the key properties of 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 311.15 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 107989241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).