5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile

C12H15N3O — CID 80510752

IUPAC5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
SMILESC=CCOc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C12H15N3O/c1-4-7-16-12-10(8-13)9(5-2)11(6-3)14-15-12/h4H,1,5-7H2,2-3H3
InChIKeyOSSUOCPZHJRRNN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.04
Rot. Bonds5

About 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile

5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile (PubChem CID 80510752) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
PubChem CID80510752
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
SMILESC=CCOc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C12H15N3O/c1-4-7-16-12-10(8-13)9(5-2)11(6-3)14-15-12/h4H,1,5-7H2,2-3H3
InChIKeyOSSUOCPZHJRRNN-UHFFFAOYSA-N
XLogP2.04
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.04
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 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile (CID 80510752) is 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile is C=CCOc1nnc(CC)c(CC)c1C#N.
What is the InChIKey of 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile?
The InChIKey is OSSUOCPZHJRRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-7-16-12-10(8-13)9(5-2)11(6-3)14-15-12/h4H,1,5-7H2,2-3H3.
What are the key properties of 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile?
5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile is sourced from PubChem (CID 80510752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).