2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one

C13H23N3O — CID 103220195

IUPAC2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O/c1-5-7-14-11-9-12(17)16(15-10-11)8-6-13(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeySVUWKQRKAWSWIO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.50
Rot. Bonds5

About 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one

2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220195) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220195
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O/c1-5-7-14-11-9-12(17)16(15-10-11)8-6-13(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeySVUWKQRKAWSWIO-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(propylamino)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

4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
4-Chloro-5-(3,3-dimethylbutylamino)-2-methylpyridazin-3-one
CID 47184858
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(Ethylamino)-3,3-dimethylbutyl]pyridazin-3-one
CID 62849594
2-[3,3-Dimethyl-2-(propylamino)butyl]pyridazin-3-one
CID 62850844
2-[2-(3,3-Dimethylbutylamino)ethyl]pyridazin-3-one
CID 62850873
2-(4-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 65247343
5-(Butylamino)-3-pyridazinol
CID 66523135
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}butanamide
CID 70713223

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one (CID 103220195) is 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCC(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is SVUWKQRKAWSWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-14-11-9-12(17)16(15-10-11)8-6-13(2,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one?
2-(3,3-dimethylbutyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 237.35 g/mol, XLogP of 2.50, 5 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-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).