5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine

C10H9ClIN3 — CID 140542213

IUPAC5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine
SMILESClc1cncc2c(I)nc(C3CCC3)n12
InChIInChI=1S/C10H9ClIN3/c11-8-5-13-4-7-9(12)14-10(15(7)8)6-2-1-3-6/h4-6H,1-3H2
InChIKeySSFAQIKNMXBYJS-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.25
Rot. Bonds1

About 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine

5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine (PubChem CID 140542213) has the molecular formula C10H9ClIN3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine
PubChem CID140542213
Molecular FormulaC10H9ClIN3
Molecular Weight333.56 g/mol
Exact Mass332.95
IUPAC Name5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine
SMILESClc1cncc2c(I)nc(C3CCC3)n12
InChIInChI=1S/C10H9ClIN3/c11-8-5-13-4-7-9(12)14-10(15(7)8)6-2-1-3-6/h4-6H,1-3H2
InChIKeySSFAQIKNMXBYJS-UHFFFAOYSA-N
XLogP3.25
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine?
The IUPAC name of 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine (CID 140542213) is 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine.
What is the SMILES notation for 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine?
The canonical SMILES for 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine is Clc1cncc2c(I)nc(C3CCC3)n12.
What is the InChIKey of 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine?
The InChIKey is SSFAQIKNMXBYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3/c11-8-5-13-4-7-9(12)14-10(15(7)8)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine?
5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine has a molecular weight of 333.56 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine is sourced from PubChem (CID 140542213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).