3a,4-dihydro-1H-imidazo[4,5-b]pyridine

C6H7N3 — CID 19867707

IUPAC3a,4-dihydro-1H-imidazo[4,5-b]pyridine
SMILESC1=CNC2N=CNC2=C1
InChIInChI=1S/C6H7N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4,6-7H,(H,8,9)
InChIKeyGRSIQOSWYNULOM-UHFFFAOYSA-N
MW121.14 g/mol
LogP-0.06
Rot. Bonds

About 3a,4-dihydro-1H-imidazo[4,5-b]pyridine

3a,4-dihydro-1H-imidazo[4,5-b]pyridine (PubChem CID 19867707) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3a,4-dihydro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3a,4-dihydro-1H-imidazo[4,5-b]pyridine
PubChem CID19867707
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name3a,4-dihydro-1H-imidazo[4,5-b]pyridine
SMILESC1=CNC2N=CNC2=C1
InChIInChI=1S/C6H7N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4,6-7H,(H,8,9)
InChIKeyGRSIQOSWYNULOM-UHFFFAOYSA-N
XLogP-0.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 3a,4-dihydro-1H-imidazo[4,5-b]pyridine (CID 19867707) is 3a,4-dihydro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3a,4-dihydro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 3a,4-dihydro-1H-imidazo[4,5-b]pyridine is C1=CNC2N=CNC2=C1.
What is the InChIKey of 3a,4-dihydro-1H-imidazo[4,5-b]pyridine?
The InChIKey is GRSIQOSWYNULOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4,6-7H,(H,8,9).
What are the key properties of 3a,4-dihydro-1H-imidazo[4,5-b]pyridine?
3a,4-dihydro-1H-imidazo[4,5-b]pyridine has a molecular weight of 121.14 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 19867707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).