2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone

C15H24N4O — CID 56903270

IUPAC2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
SMILESO=C(CN1CCCCCCC1)N1CCn2cncc2C1
InChIInChI=1S/C15H24N4O/c20-15(12-17-6-4-2-1-3-5-7-17)18-8-9-19-13-16-10-14(19)11-18/h10,13H,1-9,11-12H2
InChIKeyUJOUWESPIZSZLZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.49
Rot. Bonds2

About 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone

2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone (PubChem CID 56903270) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
PubChem CID56903270
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
SMILESO=C(CN1CCCCCCC1)N1CCn2cncc2C1
InChIInChI=1S/C15H24N4O/c20-15(12-17-6-4-2-1-3-5-7-17)18-8-9-19-13-16-10-14(19)11-18/h10,13H,1-9,11-12H2
InChIKeyUJOUWESPIZSZLZ-UHFFFAOYSA-N
XLogP1.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone (CID 56903270) is 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone is O=C(CN1CCCCCCC1)N1CCn2cncc2C1.
What is the InChIKey of 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
The InChIKey is UJOUWESPIZSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15(12-17-6-4-2-1-3-5-7-17)18-8-9-19-13-16-10-14(19)11-18/h10,13H,1-9,11-12H2.
What are the key properties of 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone?
2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 56903270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).