3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine

C6H9N3 — CID 22042070

IUPAC3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESC1=NCC2NC=NC2C1
InChIInChI=1S/C6H9N3/c1-2-7-3-6-5(1)8-4-9-6/h2,4-6H,1,3H2,(H,8,9)
InChIKeyOKUJLJLBOUNTKB-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.17
Rot. Bonds

About 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine

3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 22042070) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID22042070
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESC1=NCC2NC=NC2C1
InChIInChI=1S/C6H9N3/c1-2-7-3-6-5(1)8-4-9-6/h2,4-6H,1,3H2,(H,8,9)
InChIKeyOKUJLJLBOUNTKB-UHFFFAOYSA-N
XLogP-0.17
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 22042070) is 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine is C1=NCC2NC=NC2C1.
What is the InChIKey of 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is OKUJLJLBOUNTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-7-3-6-5(1)8-4-9-6/h2,4-6H,1,3H2,(H,8,9).
What are the key properties of 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine?
3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 123.16 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 22042070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).