5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

C5H3ClN4 — CID 71741528

IUPAC5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cncc2nncn12
InChIInChI=1S/C5H3ClN4/c6-4-1-7-2-5-9-8-3-10(4)5/h1-3H
InChIKeyJUOACTFGHZKVMT-UHFFFAOYSA-N
MW154.56 g/mol
LogP0.78
Rot. Bonds

About 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

5-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 71741528) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID71741528
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name5-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cncc2nncn12
InChIInChI=1S/C5H3ClN4/c6-4-1-7-2-5-9-8-3-10(4)5/h1-3H
InChIKeyJUOACTFGHZKVMT-UHFFFAOYSA-N
XLogP0.78
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 71741528) is 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1cncc2nncn12.
What is the InChIKey of 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JUOACTFGHZKVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-4-1-7-2-5-9-8-3-10(4)5/h1-3H.
What are the key properties of 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 154.56 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 71741528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).