2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

C13H22N4O2 — CID 114393782

IUPAC2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCCN)c(=O)c2)CCO1
InChIInChI=1S/C13H22N4O2/c1-13(2)10-16(6-7-19-13)11-8-12(18)17(15-9-11)5-3-4-14/h8-9H,3-7,10,14H2,1-2H3
InChIKeyCZFPSXBZFZBTFA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.21
Rot. Bonds4

About 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one

2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (PubChem CID 114393782) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
PubChem CID114393782
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CCCN)c(=O)c2)CCO1
InChIInChI=1S/C13H22N4O2/c1-13(2)10-16(6-7-19-13)11-8-12(18)17(15-9-11)5-3-4-14/h8-9H,3-7,10,14H2,1-2H3
InChIKeyCZFPSXBZFZBTFA-UHFFFAOYSA-N
XLogP0.21
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394127
2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 103073097
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399199
3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395846
2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 107506459
2-(2-cyclopropyl-2-oxoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114396293
(E)-4-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]but-2-enoic acid
CID 114394128
2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide
CID 114398639
4-(6-chloropyridazin-4-yl)-2,2-dimethylmorpholine
CID 114478121
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (CID 114393782) is 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is CC1(C)CN(c2cnn(CCCN)c(=O)c2)CCO1.
What is the InChIKey of 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is CZFPSXBZFZBTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2)10-16(6-7-19-13)11-8-12(18)17(15-9-11)5-3-4-14/h8-9H,3-7,10,14H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 114393782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).