7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H13N5O2 — CID 114393184

IUPAC7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3cn[nH]c(=O)c3)CCN12
InChIInChI=1S/C10H13N5O2/c16-9-3-7(5-12-13-9)14-1-2-15-8(6-14)4-11-10(15)17/h3,5,8H,1-2,4,6H2,(H,11,17)(H,13,16)
InChIKeyZTASXSIUGXEWHV-UHFFFAOYSA-N
MW235.25 g/mol
LogP-1.02
Rot. Bonds1

About 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 114393184) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID114393184
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(c3cn[nH]c(=O)c3)CCN12
InChIInChI=1S/C10H13N5O2/c16-9-3-7(5-12-13-9)14-1-2-15-8(6-14)4-11-10(15)17/h3,5,8H,1-2,4,6H2,(H,11,17)(H,13,16)
InChIKeyZTASXSIUGXEWHV-UHFFFAOYSA-N
XLogP-1.02
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 114393184) is 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(c3cn[nH]c(=O)c3)CCN12.
What is the InChIKey of 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZTASXSIUGXEWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-9-3-7(5-12-13-9)14-1-2-15-8(6-14)4-11-10(15)17/h3,5,8H,1-2,4,6H2,(H,11,17)(H,13,16).
What are the key properties of 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 235.25 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-oxo-1H-pyridazin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 114393184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).