2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine

C6H9N3 — CID 22413804

IUPAC2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine
SMILESC1=CNC2NCNC2=C1
InChIInChI=1S/C6H9N3/c1-2-5-6(7-3-1)9-4-8-5/h1-3,6-9H,4H2
InChIKeyFOCKIYZLSZKVDH-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.54
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine

2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine (PubChem CID 22413804) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine
PubChem CID22413804
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine
SMILESC1=CNC2NCNC2=C1
InChIInChI=1S/C6H9N3/c1-2-5-6(7-3-1)9-4-8-5/h1-3,6-9H,4H2
InChIKeyFOCKIYZLSZKVDH-UHFFFAOYSA-N
XLogP-0.54
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine (CID 22413804) is 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine is C1=CNC2NCNC2=C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine?
The InChIKey is FOCKIYZLSZKVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-5-6(7-3-1)9-4-8-5/h1-3,6-9H,4H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine?
2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine has a molecular weight of 123.16 g/mol, XLogP of -0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 22413804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).