2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one

C13H23N3O2 — CID 114396664

IUPAC2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-5-7-15(4)11-9-12(17)16(14-10-11)8-6-13(2,3)18/h9-10,18H,5-8H2,1-4H3
InChIKeyQJQUOJDKQRZVAN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.25
Rot. Bonds6

About 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one

2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114396664) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114396664
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-5-7-15(4)11-9-12(17)16(14-10-11)8-6-13(2,3)18/h9-10,18H,5-8H2,1-4H3
InChIKeyQJQUOJDKQRZVAN-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Hydroxy-3-methylbutyl)pyridazin-3-one
CID 79361386
5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
2-(3-Hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218690
5-(Ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103219135
5-(Cyclopropylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103219946
2-(3-Hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
5-(Cyclobutylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103220659
5-(2-Aminoethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103221233
2-(3-Hydroxy-3-methylbutyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221659
5-(Cyclopropylmethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103221943
5-[2-Aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103223479

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one (CID 114396664) is 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is QJQUOJDKQRZVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-7-15(4)11-9-12(17)16(14-10-11)8-6-13(2,3)18/h9-10,18H,5-8H2,1-4H3.
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one?
2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).