(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one

C8H13N3O2 — CID 145080400

IUPAC(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one
SMILESCC(=O)[C@@H]1CCN2CCNC(=O)N12
InChIInChI=1S/C8H13N3O2/c1-6(12)7-2-4-10-5-3-9-8(13)11(7)10/h7H,2-5H2,1H3,(H,9,13)/t7-/m0/s1
InChIKeyZVGWAZBIWUJLNG-ZETCQYMHSA-N
MW183.21 g/mol
LogP-0.41
Rot. Bonds1

About (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one

(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one (PubChem CID 145080400) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one.

Molecular Properties

Compound Name(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one
PubChem CID145080400
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one
SMILESCC(=O)[C@@H]1CCN2CCNC(=O)N12
InChIInChI=1S/C8H13N3O2/c1-6(12)7-2-4-10-5-3-9-8(13)11(7)10/h7H,2-5H2,1H3,(H,9,13)/t7-/m0/s1
InChIKeyZVGWAZBIWUJLNG-ZETCQYMHSA-N
XLogP-0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one with MolForge

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Related Compounds

(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one;ethane
CID 145080399
8-acetyl-2-methyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazin-1-one;ethane
CID 144912412
(6S)-3-acetyl-6-(methylamino)-2,3,6,7,8,9-hexahydro-1H-pyrazolo[1,2-a]diazepin-5-one
CID 163449564
3-acetyl-6-(methylamino)-1,2,3,6,7,8-hexahydropyrazolo[1,2-a]pyridazin-5-one;3-acetyl-6-(methylamino)-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione
CID 158921445
(4S,7S)-4-acetyl-7-(methylamino)-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepin-6-one
CID 59961015
1-methylimidazolidin-2-one;propan-2-one
CID 175161965
(10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione
CID 59960958
(2-oxoimidazolidin-1-yl) 2-methylbut-2-enoate
CID 175211358
1-ethylimidazolidin-2-one;2-methylprop-2-enamide
CID 66716042
4-acetyl-3-methylpiperazin-2-one
CID 13190467
1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
CID 145372236
3-acetyl-2,3,6,7,8,9-hexahydrothiadiazolo[2,3-b][1,2,3,6]thiatriazocin-5-one
CID 174336672

Frequently Asked Questions

What is the IUPAC name of (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one?
The IUPAC name of (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one (CID 145080400) is (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one.
What is the SMILES notation for (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one?
The canonical SMILES for (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one is CC(=O)[C@@H]1CCN2CCNC(=O)N12.
What is the InChIKey of (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one?
The InChIKey is ZVGWAZBIWUJLNG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(12)7-2-4-10-5-3-9-8(13)11(7)10/h7H,2-5H2,1H3,(H,9,13)/t7-/m0/s1.
What are the key properties of (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one?
(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one is sourced from PubChem (CID 145080400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).