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

C13H23N3O2 — CID 114397148

IUPAC2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCC(O)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C13H23N3O2/c1-4-6-12(17)10-16-13(18)8-11(9-14-16)15(3)7-5-2/h8-9,12,17H,4-7,10H2,1-3H3
InChIKeyYLEGCHZPUQALNG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.25
Rot. Bonds7

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

2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114397148) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114397148
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCC(O)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C13H23N3O2/c1-4-6-12(17)10-16-13(18)8-11(9-14-16)15(3)7-5-2/h8-9,12,17H,4-7,10H2,1-3H3
InChIKeyYLEGCHZPUQALNG-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395128
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 114394122
2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396265
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one (CID 114397148) is 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one is CCCC(O)Cn1ncc(N(C)CCC)cc1=O.
What is the InChIKey of 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is YLEGCHZPUQALNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-12(17)10-16-13(18)8-11(9-14-16)15(3)7-5-2/h8-9,12,17H,4-7,10H2,1-3H3.
What are the key properties of 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one?
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114397148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).