3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile

C12H13N5 — CID 116984759

IUPAC3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(N2CCNCC2)n2ccccc12
InChIInChI=1S/C12H13N5/c13-9-10-11-3-1-2-6-17(11)12(15-10)16-7-4-14-5-8-16/h1-3,6,14H,4-5,7-8H2
InChIKeyPWVAISBVAOWBEB-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.62
Rot. Bonds1

About 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile

3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 116984759) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID116984759
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(N2CCNCC2)n2ccccc12
InChIInChI=1S/C12H13N5/c13-9-10-11-3-1-2-6-17(11)12(15-10)16-7-4-14-5-8-16/h1-3,6,14H,4-5,7-8H2
InChIKeyPWVAISBVAOWBEB-UHFFFAOYSA-N
XLogP0.62
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile (CID 116984759) is 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(N2CCNCC2)n2ccccc12.
What is the InChIKey of 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is PWVAISBVAOWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-9-10-11-3-1-2-6-17(11)12(15-10)16-7-4-14-5-8-16/h1-3,6,14H,4-5,7-8H2.
What are the key properties of 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile?
3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 116984759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).