2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

C14H23N3O3 — CID 114396265

IUPAC2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC2OCCCO2)c(=O)c1
InChIInChI=1S/C14H23N3O3/c1-3-6-16(2)12-10-13(18)17(15-11-12)7-5-14-19-8-4-9-20-14/h10-11,14H,3-9H2,1-2H3
InChIKeyFIZLJGZHRMYCSK-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.24
Rot. Bonds6

About 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114396265) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114396265
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC2OCCCO2)c(=O)c1
InChIInChI=1S/C14H23N3O3/c1-3-6-16(2)12-10-13(18)17(15-11-12)7-5-14-19-8-4-9-20-14/h10-11,14H,3-9H2,1-2H3
InChIKeyFIZLJGZHRMYCSK-UHFFFAOYSA-N
XLogP1.24
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397146
2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395180
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 114394122
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393628
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-[2-(2-aminocyclopentyl)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394778
5-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 114394123
5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 56885157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114396265) is 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CCC2OCCCO2)c(=O)c1.
What is the InChIKey of 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is FIZLJGZHRMYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-6-16(2)12-10-13(18)17(15-11-12)7-5-14-19-8-4-9-20-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114396265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).