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

C20H32N6O5 — CID 158921445

IUPAC3-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
SMILESCNC1CC(=O)N2CCC(C(C)=O)N2C1=O.CNC1CCN2CCC(C(C)=O)N2C1=O
InChIInChI=1S/C10H15N3O3.C10H17N3O2/c1-6(14)8-3-4-12-9(15)5-7(11-2)10(16)13(8)12;1-7(14)9-4-6-12-5-3-8(11-2)10(15)13(9)12/h7-8,11H,3-5H2,1-2H3;8-9,11H,3-6H2,1-2H3
InChIKeyJHWQOPSLCLPXQR-UHFFFAOYSA-N
MW436.51 g/mol
LogP-1.70
Rot. Bonds4

About 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

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 (PubChem CID 158921445) has the molecular formula C20H32N6O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158921445
Molecular FormulaC20H32N6O5
Molecular Weight436.51 g/mol
Exact Mass436.24
IUPAC Name3-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
SMILESCNC1CC(=O)N2CCC(C(C)=O)N2C1=O.CNC1CCN2CCC(C(C)=O)N2C1=O
InChIInChI=1S/C10H15N3O3.C10H17N3O2/c1-6(14)8-3-4-12-9(15)5-7(11-2)10(16)13(8)12;1-7(14)9-4-6-12-5-3-8(11-2)10(15)13(9)12/h7-8,11H,3-5H2,1-2H3;8-9,11H,3-6H2,1-2H3
InChIKeyJHWQOPSLCLPXQR-UHFFFAOYSA-N
XLogP-1.70
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(6S)-3-acetyl-6-(methylamino)-2,3,6,7,8,9-hexahydro-1H-pyrazolo[1,2-a]diazepin-5-one
CID 163449564
(4S,7S)-4-acetyl-7-(methylamino)-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepin-6-one
CID 59961015
(8S)-8-acetyl-2,3,4,6,7,8-hexahydropyrazolo[1,2-a][1,2,4]triazin-1-one
CID 145080400
4-acetyl-7-(methylamino)-3,4,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]thiazin-6-one
CID 58849882
(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
6-acetyl-3-(methylamino)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 58849777
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
1-acetyl-7-(methylamino)-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione
CID 54364864
(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
CID 94236113
N-[(4S,7S)-4-acetyl-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-7-yl]benzamide
CID 59457005
N-[(4S,7S)-4-acetyl-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-7-yl]-3-phenylpropanamide
CID 58982543

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1CC(=O)N2CCC(C(C)=O)N2C1=O.CNC1CCN2CCC(C(C)=O)N2C1=O.
What is the InChIKey of 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?
The InChIKey is JHWQOPSLCLPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.C10H17N3O2/c1-6(14)8-3-4-12-9(15)5-7(11-2)10(16)13(8)12;1-7(14)9-4-6-12-5-3-8(11-2)10(15)13(9)12/h7-8,11H,3-5H2,1-2H3;8-9,11H,3-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 436.51 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158921445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).