6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C11H17N3O3 — CID 93040651

IUPAC6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC[C@H](O)C2)CCC1=O
InChIInChI=1S/C11H17N3O3/c1-13-10(16)5-4-9(12-13)11(17)14-6-2-3-8(15)7-14/h8,15H,2-7H2,1H3/t8-/m0/s1
InChIKeyJZWGNXGKQSLRJP-QMMMGPOBSA-N
MW239.27 g/mol
LogP-0.42
Rot. Bonds1

About 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 93040651) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID93040651
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC[C@H](O)C2)CCC1=O
InChIInChI=1S/C11H17N3O3/c1-13-10(16)5-4-9(12-13)11(17)14-6-2-3-8(15)7-14/h8,15H,2-7H2,1H3/t8-/m0/s1
InChIKeyJZWGNXGKQSLRJP-QMMMGPOBSA-N
XLogP-0.42
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95616143
6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94185221
(2R)-4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)morpholine-2-carboxylic acid
CID 129366643
(2R,3R)-2-methyl-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 122116543
(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 64712320
(2R)-N-cyclopropyl-2-[4-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperazin-1-yl]propanamide
CID 94541706
2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33265057
6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 55557861
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 55449701
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996446

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 93040651) is 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCC[C@H](O)C2)CCC1=O.
What is the InChIKey of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is JZWGNXGKQSLRJP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-10(16)5-4-9(12-13)11(17)14-6-2-3-8(15)7-14/h8,15H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 239.27 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-hydroxypiperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 93040651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).