3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine

C12H16N2 — CID 143419229

IUPAC3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine
SMILESC=C(C)/C(=C/C)N1N=C(C)C=CC1=C
InChIInChI=1S/C12H16N2/c1-6-12(9(2)3)14-11(5)8-7-10(4)13-14/h6-8H,2,5H2,1,3-4H3/b12-6-
InChIKeyXQIWIVFDVMMZIW-SDQBBNPISA-N
MW188.27 g/mol
LogP3.23
Rot. Bonds2

About 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine

3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine (PubChem CID 143419229) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine
PubChem CID143419229
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine
SMILESC=C(C)/C(=C/C)N1N=C(C)C=CC1=C
InChIInChI=1S/C12H16N2/c1-6-12(9(2)3)14-11(5)8-7-10(4)13-14/h6-8H,2,5H2,1,3-4H3/b12-6-
InChIKeyXQIWIVFDVMMZIW-SDQBBNPISA-N
XLogP3.23
TPSA15.60 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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine?
The IUPAC name of 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine (CID 143419229) is 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine?
The canonical SMILES for 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine is C=C(C)/C(=C/C)N1N=C(C)C=CC1=C.
What is the InChIKey of 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine?
The InChIKey is XQIWIVFDVMMZIW-SDQBBNPISA-N. The full InChI is InChI=1S/C12H16N2/c1-6-12(9(2)3)14-11(5)8-7-10(4)13-14/h6-8H,2,5H2,1,3-4H3/b12-6-.
What are the key properties of 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine?
3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine has a molecular weight of 188.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-1-[(3Z)-2-methylpenta-1,3-dien-3-yl]pyridazine is sourced from PubChem (CID 143419229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).