2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine

C7H13N3 — CID 170278293

IUPAC2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
SMILESCC1NC2=C(CNCC2)N1
InChIInChI=1S/C7H13N3/c1-5-9-6-2-3-8-4-7(6)10-5/h5,8-10H,2-4H2,1H3
InChIKeyUYNPQOVGEWDQCQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.27
Rot. Bonds

About 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine

2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 170278293) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
PubChem CID170278293
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
SMILESCC1NC2=C(CNCC2)N1
InChIInChI=1S/C7H13N3/c1-5-9-6-2-3-8-4-7(6)10-5/h5,8-10H,2-4H2,1H3
InChIKeyUYNPQOVGEWDQCQ-UHFFFAOYSA-N
XLogP-0.27
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine (CID 170278293) is 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine is CC1NC2=C(CNCC2)N1.
What is the InChIKey of 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is UYNPQOVGEWDQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-9-6-2-3-8-4-7(6)10-5/h5,8-10H,2-4H2,1H3.
What are the key properties of 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 139.20 g/mol, XLogP of -0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 170278293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).