(3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane

C14H22N2 — CID 143599678

IUPAC(3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane
SMILESC/C=C\C=c1\ccnn\c1=C\C(C)C.CC
InChIInChI=1S/C12H16N2.C2H6/c1-4-5-6-11-7-8-13-14-12(11)9-10(2)3;1-2/h4-10H,1-3H3;1-2H3/b5-4-,11-6-,12-9+;
InChIKeyBUKLDXHLHPCYLW-KJARITEZSA-N
MW218.34 g/mol
LogP2.30
Rot. Bonds2

About (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane

(3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane (PubChem CID 143599678) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane.

Molecular Properties

Compound Name(3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane
PubChem CID143599678
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane
SMILESC/C=C\C=c1\ccnn\c1=C\C(C)C.CC
InChIInChI=1S/C12H16N2.C2H6/c1-4-5-6-11-7-8-13-14-12(11)9-10(2)3;1-2/h4-10H,1-3H3;1-2H3/b5-4-,11-6-,12-9+;
InChIKeyBUKLDXHLHPCYLW-KJARITEZSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.30
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 (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane?
The IUPAC name of (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane (CID 143599678) is (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane.
What is the SMILES notation for (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane?
The canonical SMILES for (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane is C/C=C\C=c1\ccnn\c1=C\C(C)C.CC.
What is the InChIKey of (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane?
The InChIKey is BUKLDXHLHPCYLW-KJARITEZSA-N. The full InChI is InChI=1S/C12H16N2.C2H6/c1-4-5-6-11-7-8-13-14-12(11)9-10(2)3;1-2/h4-10H,1-3H3;1-2H3/b5-4-,11-6-,12-9+;.
What are the key properties of (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane?
(3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane has a molecular weight of 218.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-4-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyridazine;ethane is sourced from PubChem (CID 143599678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).