ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine

C11H16N2 — CID 143256262

IUPACethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine
SMILESC=C(C)/C=c1/nnccc1=C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-7(2)6-9-8(3)4-5-10-11-9;1-2/h4-6H,1,3H2,2H3;1-2H3/b9-6+;
InChIKeyGUJRQRVHAQXUQF-MLBSPLJJSA-N
MW176.26 g/mol
LogP1.27
Rot. Bonds1

About ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine

ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine (PubChem CID 143256262) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine.

Molecular Properties

Compound Nameethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine
PubChem CID143256262
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine
SMILESC=C(C)/C=c1/nnccc1=C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-7(2)6-9-8(3)4-5-10-11-9;1-2/h4-6H,1,3H2,2H3;1-2H3/b9-6+;
InChIKeyGUJRQRVHAQXUQF-MLBSPLJJSA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine?
The IUPAC name of ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine (CID 143256262) is ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine.
What is the SMILES notation for ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine?
The canonical SMILES for ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine is C=C(C)/C=c1/nnccc1=C.CC.
What is the InChIKey of ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine?
The InChIKey is GUJRQRVHAQXUQF-MLBSPLJJSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-7(2)6-9-8(3)4-5-10-11-9;1-2/h4-6H,1,3H2,2H3;1-2H3/b9-6+;.
What are the key properties of ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine?
ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine has a molecular weight of 176.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-methylidene-3-(2-methylprop-2-enylidene)pyridazine is sourced from PubChem (CID 143256262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).