5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one

C15H23N3O2S — CID 114399199

IUPAC5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CC3(CS)CC3)c(=O)c2)CCO1
InChIInChI=1S/C15H23N3O2S/c1-14(2)9-17(5-6-20-14)12-7-13(19)18(16-8-12)10-15(11-21)3-4-15/h7-8,21H,3-6,9-11H2,1-2H3
InChIKeyRMSATJJEQMTUIP-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.57
Rot. Bonds4

About 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one

5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one (PubChem CID 114399199) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
PubChem CID114399199
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESCC1(C)CN(c2cnn(CC3(CS)CC3)c(=O)c2)CCO1
InChIInChI=1S/C15H23N3O2S/c1-14(2)9-17(5-6-20-14)12-7-13(19)18(16-8-12)10-15(11-21)3-4-15/h7-8,21H,3-6,9-11H2,1-2H3
InChIKeyRMSATJJEQMTUIP-UHFFFAOYSA-N
XLogP1.57
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394127
2-(3-aminopropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114393782
5-(4-methylpiperidin-1-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 114399120
3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]-2-methylpropanethioamide
CID 114395846
2-(2-cyclopropyl-2-oxoethyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 114396293
2-[2-(aminomethyl)prop-2-enyl]-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 103073097
(E)-4-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]but-2-enoic acid
CID 114394128
2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 107506459
5-(dimethylamino)-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
CID 114398821
2-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanehydrazide
CID 114398639
2-[1-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 114395668
4-(6-chloropyridazin-4-yl)-2,2-dimethylmorpholine
CID 114478121

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one (CID 114399199) is 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one is CC1(C)CN(c2cnn(CC3(CS)CC3)c(=O)c2)CCO1.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
The InChIKey is RMSATJJEQMTUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-14(2)9-17(5-6-20-14)12-7-13(19)18(16-8-12)10-15(11-21)3-4-15/h7-8,21H,3-6,9-11H2,1-2H3.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one has a molecular weight of 309.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one is sourced from PubChem (CID 114399199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).