6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one

C15H23N3O2 — CID 164631142

IUPAC6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one
SMILESCC(C)N1CC[C@H](n2nc(C(C)(C)C)ccc2=O)C1=O
InChIInChI=1S/C15H23N3O2/c1-10(2)17-9-8-11(14(17)20)18-13(19)7-6-12(16-18)15(3,4)5/h6-7,10-11H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyKUUSYWCESVLSRY-NSHDSACASA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds2

About 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one

6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one (PubChem CID 164631142) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one
PubChem CID164631142
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one
SMILESCC(C)N1CC[C@H](n2nc(C(C)(C)C)ccc2=O)C1=O
InChIInChI=1S/C15H23N3O2/c1-10(2)17-9-8-11(14(17)20)18-13(19)7-6-12(16-18)15(3,4)5/h6-7,10-11H,8-9H2,1-5H3/t11-/m0/s1
InChIKeyKUUSYWCESVLSRY-NSHDSACASA-N
XLogP1.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-Tert-butyl-2-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126862523
6-Tert-butyl-2-(2-{4-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazin-1-yl}ethyl)-2,3-dihydropyridazin-3-one
CID 126914206
6-Tert-butyl-2-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126927943
6-methyl-2-(1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)pyridazin-3(2H)-one
CID 49704621
2-(3-tert-butyl-6-oxopyridazin-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 53543446
2-Butyl-6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 71927933
6-[3-(Dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 71927942
6-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 96513011
6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 96513012
6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 96513013
6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 96513014
2-butyl-6-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 96513051

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one (CID 164631142) is 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one is CC(C)N1CC[C@H](n2nc(C(C)(C)C)ccc2=O)C1=O.
What is the InChIKey of 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one?
The InChIKey is KUUSYWCESVLSRY-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)17-9-8-11(14(17)20)18-13(19)7-6-12(16-18)15(3,4)5/h6-7,10-11H,8-9H2,1-5H3/t11-/m0/s1.
What are the key properties of 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one?
6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 164631142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).