(4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine

C13H20N2 — CID 170258495

IUPAC(4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine
SMILESC/C=c1/c(C)nnc(C(C)(C)C)/c1=C/C
InChIInChI=1S/C13H20N2/c1-7-10-9(3)14-15-12(11(10)8-2)13(4,5)6/h7-8H,1-6H3/b10-7-,11-8+
InChIKeyCIVGXQTZSIZBGW-BDLVGCLISA-N
MW204.32 g/mol
LogP1.68
Rot. Bonds

About (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine

(4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine (PubChem CID 170258495) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine.

Molecular Properties

Compound Name(4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine
PubChem CID170258495
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine
SMILESC/C=c1/c(C)nnc(C(C)(C)C)/c1=C/C
InChIInChI=1S/C13H20N2/c1-7-10-9(3)14-15-12(11(10)8-2)13(4,5)6/h7-8H,1-6H3/b10-7-,11-8+
InChIKeyCIVGXQTZSIZBGW-BDLVGCLISA-N
XLogP1.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine?
The IUPAC name of (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine (CID 170258495) is (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine.
What is the SMILES notation for (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine?
The canonical SMILES for (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine is C/C=c1/c(C)nnc(C(C)(C)C)/c1=C/C.
What is the InChIKey of (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine?
The InChIKey is CIVGXQTZSIZBGW-BDLVGCLISA-N. The full InChI is InChI=1S/C13H20N2/c1-7-10-9(3)14-15-12(11(10)8-2)13(4,5)6/h7-8H,1-6H3/b10-7-,11-8+.
What are the key properties of (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine?
(4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine has a molecular weight of 204.32 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-3-tert-butyl-4,5-di(ethylidene)-6-methylpyridazine is sourced from PubChem (CID 170258495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).