1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine

C7H10N2 — CID 58724359

IUPAC1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine
SMILESC1=CC2CN=CN2CC1
InChIInChI=1S/C7H10N2/c1-2-4-9-6-8-5-7(9)3-1/h1,3,6-7H,2,4-5H2
InChIKeyGAUOLWPQOHWNGO-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.66
Rot. Bonds

About 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine

1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 58724359) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine
PubChem CID58724359
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine
SMILESC1=CC2CN=CN2CC1
InChIInChI=1S/C7H10N2/c1-2-4-9-6-8-5-7(9)3-1/h1,3,6-7H,2,4-5H2
InChIKeyGAUOLWPQOHWNGO-UHFFFAOYSA-N
XLogP0.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine (CID 58724359) is 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine is C1=CC2CN=CN2CC1.
What is the InChIKey of 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is GAUOLWPQOHWNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-9-6-8-5-7(9)3-1/h1,3,6-7H,2,4-5H2.
What are the key properties of 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine?
1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 122.17 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,8a-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 58724359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).