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

C7H13N3 — CID 68672478

IUPAC3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine
SMILESCN1CNC2=C1CNCC2
InChIInChI=1S/C7H13N3/c1-10-5-9-6-2-3-8-4-7(6)10/h8-9H,2-5H2,1H3
InChIKeyDYYINPICHNJUHO-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.32
Rot. Bonds

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

3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine (PubChem CID 68672478) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine
PubChem CID68672478
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine
SMILESCN1CNC2=C1CNCC2
InChIInChI=1S/C7H13N3/c1-10-5-9-6-2-3-8-4-7(6)10/h8-9H,2-5H2,1H3
InChIKeyDYYINPICHNJUHO-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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine (CID 68672478) is 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine is CN1CNC2=C1CNCC2.
What is the InChIKey of 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine?
The InChIKey is DYYINPICHNJUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-5-9-6-2-3-8-4-7(6)10/h8-9H,2-5H2,1H3.
What are the key properties of 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine?
3-methyl-1,2,4,5,6,7-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 3-methyl-1,2,4,5,6,7-hexahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 68672478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).