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

C12H18N2O — CID 112552400

IUPAC5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCCCc1nc(C=O)c2n1C(C)CCC2
InChIInChI=1S/C12H18N2O/c1-3-5-12-13-10(8-15)11-7-4-6-9(2)14(11)12/h8-9H,3-7H2,1-2H3
InChIKeyIBYUSCSZKWCOKY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.55
Rot. Bonds3

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

5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 112552400) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID112552400
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCCCc1nc(C=O)c2n1C(C)CCC2
InChIInChI=1S/C12H18N2O/c1-3-5-12-13-10(8-15)11-7-4-6-9(2)14(11)12/h8-9H,3-7H2,1-2H3
InChIKeyIBYUSCSZKWCOKY-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552614
5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 112552424
2-(1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117247393
1-chloro-3-ethyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247786
1-chloro-3-(2-methoxyethyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247396
(3-ethyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552389
5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247779
3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247759
3-ethyl-N,5-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 112552225
(5-ethyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
CID 112552566
2,5-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82111453
3-benzyl-1-bromo-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247740

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde (CID 112552400) is 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde is CCCc1nc(C=O)c2n1C(C)CCC2.
What is the InChIKey of 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is IBYUSCSZKWCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-12-13-10(8-15)11-7-4-6-9(2)14(11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde?
5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 206.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 112552400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).