5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile

C11H13N3O — CID 9380335

IUPAC5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile
SMILESC=C(C)Cn1nc(C)c(C)c(C#N)c1=O
InChIInChI=1S/C11H13N3O/c1-7(2)6-14-11(15)10(5-12)8(3)9(4)13-14/h1,6H2,2-4H3
InChIKeyQIONQQDRBFTQST-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.31
Rot. Bonds2

About 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile

5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile (PubChem CID 9380335) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile
PubChem CID9380335
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile
SMILESC=C(C)Cn1nc(C)c(C)c(C#N)c1=O
InChIInChI=1S/C11H13N3O/c1-7(2)6-14-11(15)10(5-12)8(3)9(4)13-14/h1,6H2,2-4H3
InChIKeyQIONQQDRBFTQST-UHFFFAOYSA-N
XLogP1.31
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5,6-Trimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile
CID 25323915
3-(3-methyl-6-oxopyridazin-1(6H)-yl)propanenitrile
CID 12758417
2-(2-Hydroxyethyl)-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 338724
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium
CID 58719491
4,5,6-Trimethyl-2-propan-2-ylpyridazin-3-one
CID 58962214
2,4,6-Triethylpyridazin-3-one
CID 90956249
2-(3,3-dimethylbutyl)-5-methyl-3-oxo-6-[(E)-prop-1-enyl]pyridazine-4-carbonitrile
CID 143774327
Ethane;5-ethyl-2-methyl-3-oxopyridazine-4-carbonitrile
CID 170979419
2-Ethyl-4-methyl-6-propan-2-ylpyridazin-3-one
CID 171574696
2-(5-cyano-3,4-dimethyl-6-oxohydropyridazinyl)-N,N-dimethylacetamide
CID 4601009
5,6-Dimethyl-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
CID 8478869

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile (CID 9380335) is 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile is C=C(C)Cn1nc(C)c(C)c(C#N)c1=O.
What is the InChIKey of 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile?
The InChIKey is QIONQQDRBFTQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)6-14-11(15)10(5-12)8(3)9(4)13-14/h1,6H2,2-4H3.
What are the key properties of 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile?
5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 9380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).