3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile

C11H12N6O — CID 79091673

IUPAC3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H12N6O/c12-5-9-10(14-2-1-13-9)16-3-4-17-8(7-16)6-15-11(17)18/h1-2,8H,3-4,6-7H2,(H,15,18)
InChIKeyOKJPZIDKYXULNG-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.44
Rot. Bonds1

About 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile

3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile (PubChem CID 79091673) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
PubChem CID79091673
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H12N6O/c12-5-9-10(14-2-1-13-9)16-3-4-17-8(7-16)6-15-11(17)18/h1-2,8H,3-4,6-7H2,(H,15,18)
InChIKeyOKJPZIDKYXULNG-UHFFFAOYSA-N
XLogP-0.44
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile (CID 79091673) is 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile?
The InChIKey is OKJPZIDKYXULNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-5-9-10(14-2-1-13-9)16-3-4-17-8(7-16)6-15-11(17)18/h1-2,8H,3-4,6-7H2,(H,15,18).
What are the key properties of 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile?
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile has a molecular weight of 244.26 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 79091673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).