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

C8H7N3O — CID 83826591

IUPAC3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCc1nc(C=O)c2cnccn12
InChIInChI=1S/C8H7N3O/c1-6-10-7(5-12)8-4-9-2-3-11(6)8/h2-5H,1H3
InChIKeyGAMLGMCUDIBCJS-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.85
Rot. Bonds1

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

3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 83826591) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID83826591
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCc1nc(C=O)c2cnccn12
InChIInChI=1S/C8H7N3O/c1-6-10-7(5-12)8-4-9-2-3-11(6)8/h2-5H,1H3
InChIKeyGAMLGMCUDIBCJS-UHFFFAOYSA-N
XLogP0.85
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.85
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-methylimidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde (CID 83826591) is 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde is Cc1nc(C=O)c2cnccn12.
What is the InChIKey of 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is GAMLGMCUDIBCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-10-7(5-12)8-4-9-2-3-11(6)8/h2-5H,1H3.
What are the key properties of 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde?
3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 83826591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).