5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C9H4Cl2N4O — CID 106688182

IUPAC5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3cncc(Cl)n23)o1
InChIInChI=1S/C9H4Cl2N4O/c10-6-3-12-4-8-13-14-9(15(6)8)5-1-2-7(11)16-5/h1-4H
InChIKeyUNDDGXBYIZSPJQ-UHFFFAOYSA-N
MW255.06 g/mol
LogP2.69
Rot. Bonds1

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

5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 106688182) has the molecular formula C9H4Cl2N4O and a molecular weight of 255.06 g/mol. Its IUPAC name is 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID106688182
Molecular FormulaC9H4Cl2N4O
Molecular Weight255.06 g/mol
Exact Mass253.98
IUPAC Name5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1ccc(-c2nnc3cncc(Cl)n23)o1
InChIInChI=1S/C9H4Cl2N4O/c10-6-3-12-4-8-13-14-9(15(6)8)5-1-2-7(11)16-5/h1-4H
InChIKeyUNDDGXBYIZSPJQ-UHFFFAOYSA-N
XLogP2.69
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 106688182) is 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine is Clc1ccc(-c2nnc3cncc(Cl)n23)o1.
What is the InChIKey of 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UNDDGXBYIZSPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N4O/c10-6-3-12-4-8-13-14-9(15(6)8)5-1-2-7(11)16-5/h1-4H.
What are the key properties of 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 255.06 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 106688182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).