(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine

C12H16N2 — CID 139385892

IUPAC(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine
SMILESC/C=c1/nncc/c1=C/C=C/C(C)C
InChIInChI=1S/C12H16N2/c1-4-12-11(8-9-13-14-12)7-5-6-10(2)3/h4-10H,1-3H3/b6-5+,11-7-,12-4+
InChIKeyZVRHSDADTRXADR-LCAUSCITSA-N
MW188.27 g/mol
LogP1.27
Rot. Bonds2

About (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine

(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine (PubChem CID 139385892) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine
PubChem CID139385892
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine
SMILESC/C=c1/nncc/c1=C/C=C/C(C)C
InChIInChI=1S/C12H16N2/c1-4-12-11(8-9-13-14-12)7-5-6-10(2)3/h4-10H,1-3H3/b6-5+,11-7-,12-4+
InChIKeyZVRHSDADTRXADR-LCAUSCITSA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine?
The IUPAC name of (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine (CID 139385892) is (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine?
The canonical SMILES for (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine is C/C=c1/nncc/c1=C/C=C/C(C)C.
What is the InChIKey of (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine?
The InChIKey is ZVRHSDADTRXADR-LCAUSCITSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-12-11(8-9-13-14-12)7-5-6-10(2)3/h4-10H,1-3H3/b6-5+,11-7-,12-4+.
What are the key properties of (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine?
(3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine has a molecular weight of 188.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-4-[(E)-4-methylpent-2-enylidene]pyridazine is sourced from PubChem (CID 139385892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).