2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one

C13H23N3O — CID 103219447

IUPAC2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O/c1-10(2)15-11-8-12(17)16(14-9-11)7-6-13(3,4)5/h8-10,15H,6-7H2,1-5H3
InChIKeyKONAMIDTQXTAII-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.50
Rot. Bonds4

About 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219447) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219447
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O/c1-10(2)15-11-8-12(17)16(14-9-11)7-6-13(3,4)5/h8-10,15H,6-7H2,1-5H3
InChIKeyKONAMIDTQXTAII-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)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

5-Methylamino-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353686
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(Ethylamino)-3,3-dimethylbutyl]pyridazin-3-one
CID 62849594
2-(2-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 62850133
2-[3,3-Dimethyl-2-(propylamino)butyl]pyridazin-3-one
CID 62850844
5-(Butylamino)-3-pyridazinol
CID 66523135
5-(3-{[(1-ethylpropyl)amino]methyl}-1-pyrrolidinyl)-2-methyl-3(2H)-pyridazinone
CID 70720970
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}propanamide
CID 70771419
5-(Cyclopropylamino)-2-methylpyridazin-3-one
CID 84075865
2-methyl-5-[(3S)-3-[(pentan-3-ylamino)methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 96373758

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219447) is 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CCC(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is KONAMIDTQXTAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)15-11-8-12(17)16(14-9-11)7-6-13(3,4)5/h8-10,15H,6-7H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).