3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile

C13H18N4O2 — CID 114395738

IUPAC3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile
SMILESCC1(C)CN(c2cnn(CCC#N)c(=O)c2)CCO1
InChIInChI=1S/C13H18N4O2/c1-13(2)10-16(6-7-19-13)11-8-12(18)17(15-9-11)5-3-4-14/h8-9H,3,5-7,10H2,1-2H3
InChIKeyFYKFDLVIPJGZMP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.77
Rot. Bonds3

About 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile

3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile (PubChem CID 114395738) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile
PubChem CID114395738
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile
SMILESCC1(C)CN(c2cnn(CCC#N)c(=O)c2)CCO1
InChIInChI=1S/C13H18N4O2/c1-13(2)10-16(6-7-19-13)11-8-12(18)17(15-9-11)5-3-4-14/h8-9H,3,5-7,10H2,1-2H3
InChIKeyFYKFDLVIPJGZMP-UHFFFAOYSA-N
XLogP0.77
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
3,3,3-Trifluoro-2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 103368205
[4-(2,2-Dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
CID 114398773
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
2-Methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile
CID 46848989
5-Morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550769
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile (CID 114395738) is 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile is CC1(C)CN(c2cnn(CCC#N)c(=O)c2)CCO1.
What is the InChIKey of 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile?
The InChIKey is FYKFDLVIPJGZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2)10-16(6-7-19-13)11-8-12(18)17(15-9-11)5-3-4-14/h8-9H,3,5-7,10H2,1-2H3.
What are the key properties of 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile?
3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile has a molecular weight of 262.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanenitrile is sourced from PubChem (CID 114395738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).