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

C5H3ClN4 — CID 12582612

IUPAC8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2cnnc12
InChIInChI=1S/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H
InChIKeyVKZJRJVVFDDJKP-UHFFFAOYSA-N
MW154.56 g/mol
LogP0.78
Rot. Bonds

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

8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 12582612) has the molecular formula C5H3ClN4 and a molecular weight of 154.56 g/mol. Its IUPAC name is 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID12582612
Molecular FormulaC5H3ClN4
Molecular Weight154.56 g/mol
Exact Mass154.00
IUPAC Name8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2cnnc12
InChIInChI=1S/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H
InChIKeyVKZJRJVVFDDJKP-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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Related Compounds

(1,2,4)Triazolo(4,3-a)pyrazine
CID 249778
[1,2,4]Triazolo[1,5-a]pyrazine
CID 136241
5-Chloro-(1,2,4)triazolo(4,3-a)pyrazin-3-amine
CID 49831040
Imidazo(2,1-f)(1,2,4)triazine
CID 10558611
Tetrazolo[1,5-a]pyrazine
CID 269230
8-Chloro-(1,2,3,4)tetrazolo(1,5-a)pyrazine
CID 12693190
(1,2,4)Triazolo(4,3-a)pyrazin-3-amine
CID 55264503
5-Chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 71741528
3-Chloroimidazo[1,2-a]pyrazine
CID 92133549
8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 325200
3-Methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 325678
8-Chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 10220126

Frequently Asked Questions

What is the IUPAC name of 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine (CID 12582612) is 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2cnnc12.
What is the InChIKey of 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VKZJRJVVFDDJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H.
What are the key properties of 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine?
8-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 8-chloro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 12582612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).