1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine

C8H12N2 — CID 89292616

IUPAC1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1=C2CC=CCN2CN1
InChIInChI=1S/C8H12N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2-3,9H,4-6H2,1H3
InChIKeyZXEDPXIXWQYTKY-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.04
Rot. Bonds

About 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine

1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 89292616) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID89292616
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1=C2CC=CCN2CN1
InChIInChI=1S/C8H12N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2-3,9H,4-6H2,1H3
InChIKeyZXEDPXIXWQYTKY-UHFFFAOYSA-N
XLogP1.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
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-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine (CID 89292616) is 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine is CC1=C2CC=CCN2CN1.
What is the InChIKey of 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is ZXEDPXIXWQYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2-3,9H,4-6H2,1H3.
What are the key properties of 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine?
1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 136.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,5,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 89292616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).