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

C12H22N4O2 — CID 114393747

IUPAC2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCOC(CN)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C12H22N4O2/c1-4-15(3)10-6-12(17)16(14-8-10)9-11(7-13)18-5-2/h6,8,11H,4-5,7,9,13H2,1-3H3
InChIKeyBBJWQAXFCCZRDJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.06
Rot. Bonds7

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

2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393747) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114393747
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCOC(CN)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C12H22N4O2/c1-4-15(3)10-6-12(17)16(14-8-10)9-11(7-13)18-5-2/h6,8,11H,4-5,7,9,13H2,1-3H3
InChIKeyBBJWQAXFCCZRDJ-UHFFFAOYSA-N
XLogP0.06
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
2-(3-amino-2-phenylpropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393745
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394815
2-(2,2-diethoxyethyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396159
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
ethyl 4-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 114396186
2-[2-amino-2-(3-methylphenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394810
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114393747) is 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one is CCOC(CN)Cn1ncc(N(C)CC)cc1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is BBJWQAXFCCZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-15(3)10-6-12(17)16(14-8-10)9-11(7-13)18-5-2/h6,8,11H,4-5,7,9,13H2,1-3H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 254.33 g/mol, XLogP of 0.06, 7 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-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).