3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde

C9H12N2O — CID 83826747

IUPAC3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCc1ncc2n1CCCC2C=O
InChIInChI=1S/C9H12N2O/c1-7-10-5-9-8(6-12)3-2-4-11(7)9/h5-6,8H,2-4H2,1H3
InChIKeySTYIUIZPSXTIIR-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.27
Rot. Bonds1

About 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde

3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 83826747) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
PubChem CID83826747
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCc1ncc2n1CCCC2C=O
InChIInChI=1S/C9H12N2O/c1-7-10-5-9-8(6-12)3-2-4-11(7)9/h5-6,8H,2-4H2,1H3
InChIKeySTYIUIZPSXTIIR-UHFFFAOYSA-N
XLogP1.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (CID 83826747) is 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is Cc1ncc2n1CCCC2C=O.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is STYIUIZPSXTIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-10-5-9-8(6-12)3-2-4-11(7)9/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 83826747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).