3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine

C16H20N2 — CID 58254711

IUPAC3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine
SMILESC=C1C=CC(c2ccc(CCCC)c(C)c2)=NN1
InChIInChI=1S/C16H20N2/c1-4-5-6-14-8-9-15(11-12(14)2)16-10-7-13(3)17-18-16/h7-11,17H,3-6H2,1-2H3
InChIKeyMCTZDLDXILKKSX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine

3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine (PubChem CID 58254711) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine.

Molecular Properties

Compound Name3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine
PubChem CID58254711
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine
SMILESC=C1C=CC(c2ccc(CCCC)c(C)c2)=NN1
InChIInChI=1S/C16H20N2/c1-4-5-6-14-8-9-15(11-12(14)2)16-10-7-13(3)17-18-16/h7-11,17H,3-6H2,1-2H3
InChIKeyMCTZDLDXILKKSX-UHFFFAOYSA-N
XLogP3.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine?
The IUPAC name of 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine (CID 58254711) is 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine.
What is the SMILES notation for 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine?
The canonical SMILES for 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine is C=C1C=CC(c2ccc(CCCC)c(C)c2)=NN1.
What is the InChIKey of 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine?
The InChIKey is MCTZDLDXILKKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-5-6-14-8-9-15(11-12(14)2)16-10-7-13(3)17-18-16/h7-11,17H,3-6H2,1-2H3.
What are the key properties of 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine?
3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine has a molecular weight of 240.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-3-methylphenyl)-6-methylidene-1H-pyridazine is sourced from PubChem (CID 58254711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).