8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine

C11H11ClIN3 — CID 89175670

IUPAC8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine
SMILESCC1CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C11H11ClIN3/c1-6-4-7(5-6)11-15-10(13)8-9(12)14-2-3-16(8)11/h2-3,6-7H,4-5H2,1H3
InChIKeyGDNYMYFCIPAZJB-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.50
Rot. Bonds1

About 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine

8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine (PubChem CID 89175670) has the molecular formula C11H11ClIN3 and a molecular weight of 347.59 g/mol. Its IUPAC name is 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine
PubChem CID89175670
Molecular FormulaC11H11ClIN3
Molecular Weight347.59 g/mol
Exact Mass346.97
IUPAC Name8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine
SMILESCC1CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C11H11ClIN3/c1-6-4-7(5-6)11-15-10(13)8-9(12)14-2-3-16(8)11/h2-3,6-7H,4-5H2,1H3
InChIKeyGDNYMYFCIPAZJB-UHFFFAOYSA-N
XLogP3.50
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.50
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 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine (CID 89175670) is 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine is CC1CC(c2nc(I)c3c(Cl)nccn23)C1.
What is the InChIKey of 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine?
The InChIKey is GDNYMYFCIPAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN3/c1-6-4-7(5-6)11-15-10(13)8-9(12)14-2-3-16(8)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine?
8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine has a molecular weight of 347.59 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-iodo-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 89175670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).