3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde

C12H13N3O — CID 83835603

IUPAC3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=Cc1nc(C2CCCC2)n2ccncc12
InChIInChI=1S/C12H13N3O/c16-8-10-11-7-13-5-6-15(11)12(14-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyFQTLYZDZRVUHNQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.20
Rot. Bonds2

About 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde

3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 83835603) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID83835603
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=Cc1nc(C2CCCC2)n2ccncc12
InChIInChI=1S/C12H13N3O/c16-8-10-11-7-13-5-6-15(11)12(14-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyFQTLYZDZRVUHNQ-UHFFFAOYSA-N
XLogP2.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde (CID 83835603) is 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde is O=Cc1nc(C2CCCC2)n2ccncc12.
What is the InChIKey of 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is FQTLYZDZRVUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-8-10-11-7-13-5-6-15(11)12(14-10)9-3-1-2-4-9/h5-9H,1-4H2.
What are the key properties of 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde?
3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 215.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylimidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 83835603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).