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

C10H14N2O — CID 83827911

IUPAC3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCc1nc(C=O)c2n1CC(C)CC2
InChIInChI=1S/C10H14N2O/c1-7-3-4-10-9(6-13)11-8(2)12(10)5-7/h6-7H,3-5H2,1-2H3
InChIKeyZAVQXSIRKCWWPR-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.59
Rot. Bonds1

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

3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 83827911) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID83827911
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCc1nc(C=O)c2n1CC(C)CC2
InChIInChI=1S/C10H14N2O/c1-7-3-4-10-9(6-13)11-8(2)12(10)5-7/h6-7H,3-5H2,1-2H3
InChIKeyZAVQXSIRKCWWPR-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.59
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 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde (CID 83827911) is 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde is Cc1nc(C=O)c2n1CC(C)CC2.
What is the InChIKey of 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is ZAVQXSIRKCWWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-3-4-10-9(6-13)11-8(2)12(10)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 178.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 83827911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).