3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine

C10H9F2IN4 — CID 66915553

IUPAC3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(F)(F)C3)nc(I)c12
InChIInChI=1S/C10H9F2IN4/c11-10(12)3-5(4-10)9-16-7(13)6-8(14)15-1-2-17(6)9/h1-2,5H,3-4H2,(H2,14,15)
InChIKeyRZVPIMDEAZCGAW-UHFFFAOYSA-N
MW350.11 g/mol
LogP2.43
Rot. Bonds1

About 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine

3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine (PubChem CID 66915553) has the molecular formula C10H9F2IN4 and a molecular weight of 350.11 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine
PubChem CID66915553
Molecular FormulaC10H9F2IN4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Name3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(F)(F)C3)nc(I)c12
InChIInChI=1S/C10H9F2IN4/c11-10(12)3-5(4-10)9-16-7(13)6-8(14)15-1-2-17(6)9/h1-2,5H,3-4H2,(H2,14,15)
InChIKeyRZVPIMDEAZCGAW-UHFFFAOYSA-N
XLogP2.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine (CID 66915553) is 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CC(F)(F)C3)nc(I)c12.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is RZVPIMDEAZCGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2IN4/c11-10(12)3-5(4-10)9-16-7(13)6-8(14)15-1-2-17(6)9/h1-2,5H,3-4H2,(H2,14,15).
What are the key properties of 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine?
3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 350.11 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 66915553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).