ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine

C18H26N2 — CID 90913476

IUPACethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine
SMILESC=C1C(CC)=C(c2ccc(C)cc2)C(C)=NN1C.CC
InChIInChI=1S/C16H20N2.C2H6/c1-6-15-13(4)18(5)17-12(3)16(15)14-9-7-11(2)8-10-14;1-2/h7-10H,4,6H2,1-3,5H3;1-2H3
InChIKeyJEGIPTMDXFIUFC-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.02
Rot. Bonds2

About ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine

ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine (PubChem CID 90913476) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine.

Molecular Properties

Compound Nameethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine
PubChem CID90913476
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Nameethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine
SMILESC=C1C(CC)=C(c2ccc(C)cc2)C(C)=NN1C.CC
InChIInChI=1S/C16H20N2.C2H6/c1-6-15-13(4)18(5)17-12(3)16(15)14-9-7-11(2)8-10-14;1-2/h7-10H,4,6H2,1-3,5H3;1-2H3
InChIKeyJEGIPTMDXFIUFC-UHFFFAOYSA-N
XLogP5.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine?
The IUPAC name of ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine (CID 90913476) is ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine.
What is the SMILES notation for ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine?
The canonical SMILES for ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine is C=C1C(CC)=C(c2ccc(C)cc2)C(C)=NN1C.CC.
What is the InChIKey of ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine?
The InChIKey is JEGIPTMDXFIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C2H6/c1-6-15-13(4)18(5)17-12(3)16(15)14-9-7-11(2)8-10-14;1-2/h7-10H,4,6H2,1-3,5H3;1-2H3.
What are the key properties of ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine?
ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine has a molecular weight of 270.42 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,3-dimethyl-6-methylidene-4-(4-methylphenyl)pyridazine is sourced from PubChem (CID 90913476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).