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

C16H27N3O — CID 126923934

IUPAC6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCCC1Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C16H27N3O/c1-12(2)18-10-6-7-13(18)11-19-15(20)9-8-14(17-19)16(3,4)5/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyURMRUJVBAZHTRI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.41
Rot. Bonds3

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

6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (PubChem CID 126923934) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
PubChem CID126923934
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)N1CCCC1Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C16H27N3O/c1-12(2)18-10-6-7-13(18)11-19-15(20)9-8-14(17-19)16(3,4)5/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyURMRUJVBAZHTRI-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]pyridazin-3-one
CID 164631142
6-Tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one
CID 176849391
2-(3-tert-butyl-6-oxopyridazin-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 53543446
6-Tert-butyl-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 60225982
6-Tert-butyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 60226084
2-Butyl-6-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 71927873
2-Butyl-6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 71927933
2-butyl-6-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 96513051
2-butyl-6-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 96513052
2-butyl-6-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 96513054
2-butyl-6-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 96513056
2-butyl-6-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]pyridazin-3-one
CID 97098644

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (CID 126923934) is 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is CC(C)N1CCCC1Cn1nc(C(C)(C)C)ccc1=O.
What is the InChIKey of 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is URMRUJVBAZHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)18-10-6-7-13(18)11-19-15(20)9-8-14(17-19)16(3,4)5/h8-9,12-13H,6-7,10-11H2,1-5H3.
What are the key properties of 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 277.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126923934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).