2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile

C13H13N5O2 — CID 14969902

IUPAC2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile
SMILESCn1ncc(N2CCOCC2)c(C=C(C#N)C#N)c1=O
InChIInChI=1S/C13H13N5O2/c1-17-13(19)11(6-10(7-14)8-15)12(9-16-17)18-2-4-20-5-3-18/h6,9H,2-5H2,1H3
InChIKeyZJPPOVXMCKEQAY-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.05
Rot. Bonds2

About 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile

2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile (PubChem CID 14969902) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile
PubChem CID14969902
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile
SMILESCn1ncc(N2CCOCC2)c(C=C(C#N)C#N)c1=O
InChIInChI=1S/C13H13N5O2/c1-17-13(19)11(6-10(7-14)8-15)12(9-16-17)18-2-4-20-5-3-18/h6,9H,2-5H2,1H3
InChIKeyZJPPOVXMCKEQAY-UHFFFAOYSA-N
XLogP0.05
TPSA94.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile
CID 46848989

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile (CID 14969902) is 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile is Cn1ncc(N2CCOCC2)c(C=C(C#N)C#N)c1=O.
What is the InChIKey of 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile?
The InChIKey is ZJPPOVXMCKEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-17-13(19)11(6-10(7-14)8-15)12(9-16-17)18-2-4-20-5-3-18/h6,9H,2-5H2,1H3.
What are the key properties of 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile?
2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile has a molecular weight of 271.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)methylidene]propanedinitrile is sourced from PubChem (CID 14969902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).