5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

C11H19N3O2 — CID 103219135

IUPAC5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCCNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-4-12-9-7-10(15)14(13-8-9)6-5-11(2,3)16/h7-8,12,16H,4-6H2,1-3H3
InChIKeyFWMVMWNSFFYBFC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.84
Rot. Bonds5

About 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (PubChem CID 103219135) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
PubChem CID103219135
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCCNc1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-4-12-9-7-10(15)14(13-8-9)6-5-11(2,3)16/h7-8,12,16H,4-6H2,1-3H3
InChIKeyFWMVMWNSFFYBFC-UHFFFAOYSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
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-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
5-(Methylamino)-2-(2-methylbutyl)pyridazin-3-one
CID 103218501
5-(Methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
2-Butyl-5-(methylamino)pyridazin-3-one
CID 103218555
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
2-(2-Ethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218589
2-(3-Hydroxy-2-methylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218601
2-(3-Hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218690

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (CID 103219135) is 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is CCNc1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is FWMVMWNSFFYBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-12-9-7-10(15)14(13-8-9)6-5-11(2,3)16/h7-8,12,16H,4-6H2,1-3H3.
What are the key properties of 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103219135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).