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

C5H2ClIN4 — CID 133063746

IUPAC6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cn2c(I)nnc2cn1
InChIInChI=1S/C5H2ClIN4/c6-3-2-11-4(1-8-3)9-10-5(11)7/h1-2H
InChIKeyNYHOLCOJHJUEQL-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.38
Rot. Bonds

About 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine

6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 133063746) has the molecular formula C5H2ClIN4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID133063746
Molecular FormulaC5H2ClIN4
Molecular Weight280.46 g/mol
Exact Mass279.90
IUPAC Name6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cn2c(I)nnc2cn1
InChIInChI=1S/C5H2ClIN4/c6-3-2-11-4(1-8-3)9-10-5(11)7/h1-2H
InChIKeyNYHOLCOJHJUEQL-UHFFFAOYSA-N
XLogP1.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
8-Chloro-(1,2,4)triazolo(4,3-a)pyrazine
CID 12582612
Imidazo(2,1-f)(1,2,4)triazine
CID 10558611
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 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine (CID 133063746) is 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine is Clc1cn2c(I)nnc2cn1.
What is the InChIKey of 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NYHOLCOJHJUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN4/c6-3-2-11-4(1-8-3)9-10-5(11)7/h1-2H.
What are the key properties of 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine?
6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 280.46 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 133063746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).