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

C12H14N4O3 — CID 103766388

IUPAC7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H14N4O3/c17-10-5-8(1-2-13-10)11(18)15-3-4-16-9(7-15)6-14-12(16)19/h1-2,5,9H,3-4,6-7H2,(H,13,17)(H,14,19)
InChIKeyKBRZVFOTAKPGIG-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.78
Rot. Bonds1

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

7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 103766388) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID103766388
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C12H14N4O3/c17-10-5-8(1-2-13-10)11(18)15-3-4-16-9(7-15)6-14-12(16)19/h1-2,5,9H,3-4,6-7H2,(H,13,17)(H,14,19)
InChIKeyKBRZVFOTAKPGIG-UHFFFAOYSA-N
XLogP-0.78
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

7-[4-(bromomethyl)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 102851816
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 103764742
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
7-(2,3-dihydroxybenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114344503
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
N-cyclopropyl-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 115682833
7-(3-hydroxypyridine-2-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095243
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 113364846
7-(2-amino-5-fluorobenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092312
7-(2-bromo-5-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 81003001
7-(3-fluoropyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 113252183

Frequently Asked Questions

What is the IUPAC name of 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 103766388) is 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C(c1cc[nH]c(=O)c1)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is KBRZVFOTAKPGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-10-5-8(1-2-13-10)11(18)15-3-4-16-9(7-15)6-14-12(16)19/h1-2,5,9H,3-4,6-7H2,(H,13,17)(H,14,19).
What are the key properties of 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 262.27 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxo-1H-pyridine-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 103766388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).