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

C6H11N3 — CID 118135394

IUPAC2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
SMILESC1CC2=C(CN1)NCN2
InChIInChI=1S/C6H11N3/c1-2-7-3-6-5(1)8-4-9-6/h7-9H,1-4H2
InChIKeyRYDALVKJTHWOHI-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.66
Rot. Bonds

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

2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 118135394) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
PubChem CID118135394
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
SMILESC1CC2=C(CN1)NCN2
InChIInChI=1S/C6H11N3/c1-2-7-3-6-5(1)8-4-9-6/h7-9H,1-4H2
InChIKeyRYDALVKJTHWOHI-UHFFFAOYSA-N
XLogP-0.66
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine (CID 118135394) is 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine is C1CC2=C(CN1)NCN2.
What is the InChIKey of 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is RYDALVKJTHWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-7-3-6-5(1)8-4-9-6/h7-9H,1-4H2.
What are the key properties of 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 125.17 g/mol, XLogP of -0.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118135394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).