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

C11H5Cl3N4 — CID 169100695

IUPAC6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESClc1cn2nc(-c3cccc(Cl)c3Cl)nc2cn1
InChIInChI=1S/C11H5Cl3N4/c12-7-3-1-2-6(10(7)14)11-16-9-4-15-8(13)5-18(9)17-11/h1-5H
InChIKeyHWVAXQHQSWQMBP-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.75
Rot. Bonds1

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

6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 169100695) has the molecular formula C11H5Cl3N4 and a molecular weight of 299.55 g/mol. Its IUPAC name is 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID169100695
Molecular FormulaC11H5Cl3N4
Molecular Weight299.55 g/mol
Exact Mass297.96
IUPAC Name6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESClc1cn2nc(-c3cccc(Cl)c3Cl)nc2cn1
InChIInChI=1S/C11H5Cl3N4/c12-7-3-1-2-6(10(7)14)11-16-9-4-15-8(13)5-18(9)17-11/h1-5H
InChIKeyHWVAXQHQSWQMBP-UHFFFAOYSA-N
XLogP3.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 169100695) is 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine is Clc1cn2nc(-c3cccc(Cl)c3Cl)nc2cn1.
What is the InChIKey of 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is HWVAXQHQSWQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N4/c12-7-3-1-2-6(10(7)14)11-16-9-4-15-8(13)5-18(9)17-11/h1-5H.
What are the key properties of 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine?
6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 299.55 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 169100695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).