5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one

C13H21N5O3 — CID 103223399

IUPAC5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CC(=O)N2CCOCC2)c(=O)c1
InChIInChI=1S/C13H21N5O3/c1-16(3-2-14)11-8-12(19)18(15-9-11)10-13(20)17-4-6-21-7-5-17/h8-9H,2-7,10,14H2,1H3
InChIKeyMWQYATMNZRCOBW-UHFFFAOYSA-N
MW295.34 g/mol
LogP-1.50
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (PubChem CID 103223399) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
PubChem CID103223399
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CC(=O)N2CCOCC2)c(=O)c1
InChIInChI=1S/C13H21N5O3/c1-16(3-2-14)11-8-12(19)18(15-9-11)10-13(20)17-4-6-21-7-5-17/h8-9H,2-7,10,14H2,1H3
InChIKeyMWQYATMNZRCOBW-UHFFFAOYSA-N
XLogP-1.50
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (CID 103223399) is 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is CN(CCN)c1cnn(CC(=O)N2CCOCC2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The InChIKey is MWQYATMNZRCOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-16(3-2-14)11-8-12(19)18(15-9-11)10-13(20)17-4-6-21-7-5-17/h8-9H,2-7,10,14H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one has a molecular weight of 295.34 g/mol, XLogP of -1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is sourced from PubChem (CID 103223399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).