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

C13H24N4O2 — CID 114393779

IUPAC2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(CN)OCC)c(=O)c1
InChIInChI=1S/C13H24N4O2/c1-4-6-16(3)11-7-13(18)17(15-9-11)10-12(8-14)19-5-2/h7,9,12H,4-6,8,10,14H2,1-3H3
InChIKeyKZLMXMJNEWDYPS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.45
Rot. Bonds8

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

2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114393779) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114393779
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(CN)OCC)c(=O)c1
InChIInChI=1S/C13H24N4O2/c1-4-6-16(3)11-7-13(18)17(15-9-11)10-12(8-14)19-5-2/h7,9,12H,4-6,8,10,14H2,1-3H3
InChIKeyKZLMXMJNEWDYPS-UHFFFAOYSA-N
XLogP0.45
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393747
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395128
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393745
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
2-(2-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394768

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one (CID 114393779) is 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CC(CN)OCC)c(=O)c1.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is KZLMXMJNEWDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-6-16(3)11-7-13(18)17(15-9-11)10-12(8-14)19-5-2/h7,9,12H,4-6,8,10,14H2,1-3H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one?
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 268.36 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).