3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine

C13H24N2 — CID 130242734

IUPAC3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine
SMILESC=C1NN(CC)C(C(C)(C)C)C=C1CC
InChIInChI=1S/C13H24N2/c1-7-11-9-12(13(4,5)6)15(8-2)14-10(11)3/h9,12,14H,3,7-8H2,1-2,4-6H3
InChIKeyVUVVWDVSWRTBAG-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds2

About 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine

3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine (PubChem CID 130242734) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine.

Molecular Properties

Compound Name3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine
PubChem CID130242734
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine
SMILESC=C1NN(CC)C(C(C)(C)C)C=C1CC
InChIInChI=1S/C13H24N2/c1-7-11-9-12(13(4,5)6)15(8-2)14-10(11)3/h9,12,14H,3,7-8H2,1-2,4-6H3
InChIKeyVUVVWDVSWRTBAG-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine?
The IUPAC name of 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine (CID 130242734) is 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine.
What is the SMILES notation for 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine?
The canonical SMILES for 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine is C=C1NN(CC)C(C(C)(C)C)C=C1CC.
What is the InChIKey of 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine?
The InChIKey is VUVVWDVSWRTBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-11-9-12(13(4,5)6)15(8-2)14-10(11)3/h9,12,14H,3,7-8H2,1-2,4-6H3.
What are the key properties of 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine?
3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine has a molecular weight of 208.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,5-diethyl-6-methylidene-1,3-dihydropyridazine is sourced from PubChem (CID 130242734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).