2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one

C11H19N3O2 — CID 103220216

IUPAC2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(C)CO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-3-4-12-10-5-11(16)14(13-6-10)7-9(2)8-15/h5-6,9,12,15H,3-4,7-8H2,1-2H3
InChIKeySCAMIFJDKQQHIM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds6

About 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one

2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220216) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220216
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC(C)CO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-3-4-12-10-5-11(16)14(13-6-10)7-9(2)8-15/h5-6,9,12,15H,3-4,7-8H2,1-2H3
InChIKeySCAMIFJDKQQHIM-UHFFFAOYSA-N
XLogP0.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Methylpropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221686
4-Bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one
CID 114432726
4-Chloro-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one
CID 114432730
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-(2-Hydroxyethylamino)-2-methylpyridazin-3-one
CID 85866137
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
5-(Methylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 103218450
2-(2-Hydroxyethyl)-5-(methylamino)pyridazin-3-one
CID 103218461

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one (CID 103220216) is 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CC(C)CO)c(=O)c1.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is SCAMIFJDKQQHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-12-10-5-11(16)14(13-6-10)7-9(2)8-15/h5-6,9,12,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one?
2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).