3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen

C6H9N3 — CID 171801061

IUPAC3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen
SMILESC1=CC2=NCNC2N=C1.[H][H]
InChIInChI=1S/C6H7N3.H2/c1-2-5-6(7-3-1)9-4-8-5;/h1-3,6,9H,4H2;1H
InChIKeyIBBCCNKJGWIMFD-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.20
Rot. Bonds

About 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen

3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen (PubChem CID 171801061) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen
PubChem CID171801061
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen
SMILESC1=CC2=NCNC2N=C1.[H][H]
InChIInChI=1S/C6H7N3.H2/c1-2-5-6(7-3-1)9-4-8-5;/h1-3,6,9H,4H2;1H
InChIKeyIBBCCNKJGWIMFD-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen?
The IUPAC name of 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen (CID 171801061) is 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen.
What is the SMILES notation for 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen?
The canonical SMILES for 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen is C1=CC2=NCNC2N=C1.[H][H].
What is the InChIKey of 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen?
The InChIKey is IBBCCNKJGWIMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.H2/c1-2-5-6(7-3-1)9-4-8-5;/h1-3,6,9H,4H2;1H.
What are the key properties of 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen?
3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen has a molecular weight of 123.16 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydro-2H-imidazo[4,5-b]pyridine;molecular hydrogen is sourced from PubChem (CID 171801061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).