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

C14H24N4O3 — CID 107506459

IUPAC2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCOCC(N)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H24N4O3/c1-14(2)10-17(4-5-21-14)12-6-13(19)18(16-7-12)8-11(15)9-20-3/h6-7,11H,4-5,8-10,15H2,1-3H3
InChIKeyTVNZQICSUJCUHZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.17
Rot. Bonds5

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

2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (PubChem CID 107506459) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
PubChem CID107506459
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
SMILESCOCC(N)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H24N4O3/c1-14(2)10-17(4-5-21-14)12-6-13(19)18(16-7-12)8-11(15)9-20-3/h6-7,11H,4-5,8-10,15H2,1-3H3
InChIKeyTVNZQICSUJCUHZ-UHFFFAOYSA-N
XLogP-0.17
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395846
2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114393782
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-(2-cyclopropyl-2-oxoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114396293
5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399199
(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-(2-methyl-3-sulfanylpropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114398865
2-[3-methoxy-2-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107506454
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one (CID 107506459) is 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is COCC(N)Cn1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is TVNZQICSUJCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2)10-17(4-5-21-14)12-6-13(19)18(16-7-12)8-11(15)9-20-3/h6-7,11H,4-5,8-10,15H2,1-3H3.
What are the key properties of 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one?
2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 107506459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).