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

C6H11Cl2N3 — CID 66973714

IUPAC2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride
SMILESC1=CNC2NCNC2=C1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-2-5-6(7-3-1)9-4-8-5;;/h1-3,6-9H,4H2;2*1H
InChIKeyVYMALUUNFYMTDV-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.31
Rot. Bonds

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

2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride (PubChem CID 66973714) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride
PubChem CID66973714
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride
SMILESC1=CNC2NCNC2=C1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-2-5-6(7-3-1)9-4-8-5;;/h1-3,6-9H,4H2;2*1H
InChIKeyVYMALUUNFYMTDV-UHFFFAOYSA-N
XLogP0.31
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.31
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;dihydrochloride?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride (CID 66973714) is 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride is C1=CNC2NCNC2=C1.Cl.Cl.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride?
The InChIKey is VYMALUUNFYMTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-2-5-6(7-3-1)9-4-8-5;;/h1-3,6-9H,4H2;2*1H.
What are the key properties of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride?
2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 0.31, 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;dihydrochloride is sourced from PubChem (CID 66973714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).