3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine

C5H2Cl2N4 — CID 133054598

IUPAC3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(Cl)nnc12
InChIInChI=1S/C5H2Cl2N4/c6-3-4-9-10-5(7)11(4)2-1-8-3/h1-2H
InChIKeyKOXNHNZILZHZBT-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.43
Rot. Bonds

About 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine

3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133054598) has the molecular formula C5H2Cl2N4 and a molecular weight of 189.01 g/mol. Its IUPAC name is 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133054598
Molecular FormulaC5H2Cl2N4
Molecular Weight189.01 g/mol
Exact Mass187.97
IUPAC Name3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(Cl)nnc12
InChIInChI=1S/C5H2Cl2N4/c6-3-4-9-10-5(7)11(4)2-1-8-3/h1-2H
InChIKeyKOXNHNZILZHZBT-UHFFFAOYSA-N
XLogP1.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,8-dichloro-[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-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
CID 58388823
8-chloro-3-(1,1,2,2-tetrafluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 79659917
8-chloro-3-(4-chloro-2,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 82771314
8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114030805
3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295612
8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 84700451
8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 66128415
8-chloro-3-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294883
8-chloro-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295709
3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114018416
8-chloro-3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 107939390
CID 89399008
CID 89399008

Frequently Asked Questions

What is the IUPAC name of 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 133054598) is 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2c(Cl)nnc12.
What is the InChIKey of 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KOXNHNZILZHZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-4-9-10-5(7)11(4)2-1-8-3/h1-2H.
What are the key properties of 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine?
3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 189.01 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133054598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).