5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine

C7H13N3 — CID 86340598

IUPAC5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine
SMILESCN1CCC2=C(C1)NCN2
InChIInChI=1S/C7H13N3/c1-10-3-2-6-7(4-10)9-5-8-6/h8-9H,2-5H2,1H3
InChIKeyPMRBZGRPFNCOCU-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.32
Rot. Bonds

About 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine

5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine (PubChem CID 86340598) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine
PubChem CID86340598
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine
SMILESCN1CCC2=C(C1)NCN2
InChIInChI=1S/C7H13N3/c1-10-3-2-6-7(4-10)9-5-8-6/h8-9H,2-5H2,1H3
InChIKeyPMRBZGRPFNCOCU-UHFFFAOYSA-N
XLogP-0.32
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine (CID 86340598) is 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine is CN1CCC2=C(C1)NCN2.
What is the InChIKey of 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine?
The InChIKey is PMRBZGRPFNCOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-3-2-6-7(4-10)9-5-8-6/h8-9H,2-5H2,1H3.
What are the key properties of 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine?
5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine has a molecular weight of 139.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4,6,7-hexahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 86340598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).