3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine

C10H11IN4 — CID 42609365

IUPAC3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(I)c12
InChIInChI=1S/C10H11IN4/c11-8-7-9(12)13-4-5-15(7)10(14-8)6-2-1-3-6/h4-6H,1-3H2,(H2,12,13)
InChIKeyZEXCXPJVVLIIQN-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.18
Rot. Bonds1

About 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine (PubChem CID 42609365) has the molecular formula C10H11IN4 and a molecular weight of 314.13 g/mol. Its IUPAC name is 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine
PubChem CID42609365
Molecular FormulaC10H11IN4
Molecular Weight314.13 g/mol
Exact Mass314.00
IUPAC Name3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(I)c12
InChIInChI=1S/C10H11IN4/c11-8-7-9(12)13-4-5-15(7)10(14-8)6-2-1-3-6/h4-6H,1-3H2,(H2,12,13)
InChIKeyZEXCXPJVVLIIQN-UHFFFAOYSA-N
XLogP2.18
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.18
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-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine (CID 42609365) is 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(I)c12.
What is the InChIKey of 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ZEXCXPJVVLIIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4/c11-8-7-9(12)13-4-5-15(7)10(14-8)6-2-1-3-6/h4-6H,1-3H2,(H2,12,13).
What are the key properties of 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 314.13 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 42609365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).