3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine

C15H16N4O — CID 59592013

IUPAC3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine
SMILESC=C(C)c1ccc(-c2ccc(C(=C)OCC)nn2)nn1
InChIInChI=1S/C15H16N4O/c1-5-20-11(4)13-7-9-15(19-17-13)14-8-6-12(10(2)3)16-18-14/h6-9H,2,4-5H2,1,3H3
InChIKeyKVXSCLKBDHQELD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.97
Rot. Bonds5

About 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine

3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine (PubChem CID 59592013) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine
PubChem CID59592013
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine
SMILESC=C(C)c1ccc(-c2ccc(C(=C)OCC)nn2)nn1
InChIInChI=1S/C15H16N4O/c1-5-20-11(4)13-7-9-15(19-17-13)14-8-6-12(10(2)3)16-18-14/h6-9H,2,4-5H2,1,3H3
InChIKeyKVXSCLKBDHQELD-UHFFFAOYSA-N
XLogP2.97
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine?
The IUPAC name of 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine (CID 59592013) is 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine.
What is the SMILES notation for 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine?
The canonical SMILES for 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine is C=C(C)c1ccc(-c2ccc(C(=C)OCC)nn2)nn1.
What is the InChIKey of 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine?
The InChIKey is KVXSCLKBDHQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-5-20-11(4)13-7-9-15(19-17-13)14-8-6-12(10(2)3)16-18-14/h6-9H,2,4-5H2,1,3H3.
What are the key properties of 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine?
3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine has a molecular weight of 268.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine is sourced from PubChem (CID 59592013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).