3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile

C8H9N3O — CID 67912590

IUPAC3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#CC1NC(=O)N2CCCC=C12
InChIInChI=1S/C8H9N3O/c9-5-6-7-3-1-2-4-11(7)8(12)10-6/h3,6H,1-2,4H2,(H,10,12)
InChIKeyWTIQAPFFANRKOI-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.58
Rot. Bonds

About 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile

3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 67912590) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID67912590
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#CC1NC(=O)N2CCCC=C12
InChIInChI=1S/C8H9N3O/c9-5-6-7-3-1-2-4-11(7)8(12)10-6/h3,6H,1-2,4H2,(H,10,12)
InChIKeyWTIQAPFFANRKOI-UHFFFAOYSA-N
XLogP0.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile (CID 67912590) is 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile is N#CC1NC(=O)N2CCCC=C12.
What is the InChIKey of 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is WTIQAPFFANRKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-5-6-7-3-1-2-4-11(7)8(12)10-6/h3,6H,1-2,4H2,(H,10,12).
What are the key properties of 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile?
3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,5,6,7-tetrahydro-1H-imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 67912590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).