2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile

C15H19N3O — CID 71931881

IUPAC2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile
SMILESCCc1nn(C2C=CCCC2)c(=O)c(C#N)c1CC
InChIInChI=1S/C15H19N3O/c1-3-12-13(10-16)15(19)18(17-14(12)4-2)11-8-6-5-7-9-11/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyDPQMJTIFMFOHGK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.52
Rot. Bonds3

About 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile

2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 71931881) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile
PubChem CID71931881
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile
SMILESCCc1nn(C2C=CCCC2)c(=O)c(C#N)c1CC
InChIInChI=1S/C15H19N3O/c1-3-12-13(10-16)15(19)18(17-14(12)4-2)11-8-6-5-7-9-11/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyDPQMJTIFMFOHGK-UHFFFAOYSA-N
XLogP2.52
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile (CID 71931881) is 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile is CCc1nn(C2C=CCCC2)c(=O)c(C#N)c1CC.
What is the InChIKey of 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is DPQMJTIFMFOHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-12-13(10-16)15(19)18(17-14(12)4-2)11-8-6-5-7-9-11/h6,8,11H,3-5,7,9H2,1-2H3.
What are the key properties of 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile?
2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-5,6-diethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 71931881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).