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

C10H14N2O — CID 83827902

IUPAC1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCc1nc(C)n2c1C(C=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7-10-9(6-13)4-3-5-12(10)8(2)11-7/h6,9H,3-5H2,1-2H3
InChIKeyYPCNPXLDUGFEIC-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.58
Rot. Bonds1

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

1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 83827902) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
PubChem CID83827902
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCc1nc(C)n2c1C(C=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7-10-9(6-13)4-3-5-12(10)8(2)11-7/h6,9H,3-5H2,1-2H3
InChIKeyYPCNPXLDUGFEIC-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (CID 83827902) is 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is Cc1nc(C)n2c1C(C=O)CCC2.
What is the InChIKey of 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is YPCNPXLDUGFEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-10-9(6-13)4-3-5-12(10)8(2)11-7/h6,9H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 178.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 83827902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).