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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).