5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one

C13H22N4O2 — CID 103223471

IUPAC5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-16(5-4-14)12-8-13(18)17(15-9-12)10-11-2-6-19-7-3-11/h8-9,11H,2-7,10,14H2,1H3
InChIKeyLPHWRBUHPOWHPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.06
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103223471) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103223471
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-16(5-4-14)12-8-13(18)17(15-9-12)10-11-2-6-19-7-3-11/h8-9,11H,2-7,10,14H2,1H3
InChIKeyLPHWRBUHPOWHPV-UHFFFAOYSA-N
XLogP0.06
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxypropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202164
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91924033
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202092
5-(4-methyl-1-piperazinyl)-2-[2-(tetrahydro-3-furanyl)ethyl]-3(2H)-pyridazinone
CID 56900707
2-methyl-5-[4-(tetrahydrofuran-3-ylmethyl)piperazin-1-yl]pyridazin-3(2H)-one
CID 77090772
5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one
CID 95713834
5-(4-methylpiperazin-1-yl)-2-[2-[(3S)-oxolan-3-yl]ethyl]pyridazin-3-one
CID 95713836
2-methyl-5-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]pyridazin-3-one
CID 99940637
2-methyl-5-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridazin-3-one
CID 99940640
5-Amino-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218363
5-(Methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218678

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103223471) is 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one is CN(CCN)c1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is LPHWRBUHPOWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(5-4-14)12-8-13(18)17(15-9-12)10-11-2-6-19-7-3-11/h8-9,11H,2-7,10,14H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103223471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).