4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine

C9H12N2 — CID 142987025

IUPAC4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine
SMILESC=CC1=C(C)N=NCC1C=C
InChIInChI=1S/C9H12N2/c1-4-8-6-10-11-7(3)9(8)5-2/h4-5,8H,1-2,6H2,3H3
InChIKeyTYMADVTWDJXNMD-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.71
Rot. Bonds2

About 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine

4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine (PubChem CID 142987025) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine.

Molecular Properties

Compound Name4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine
PubChem CID142987025
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine
SMILESC=CC1=C(C)N=NCC1C=C
InChIInChI=1S/C9H12N2/c1-4-8-6-10-11-7(3)9(8)5-2/h4-5,8H,1-2,6H2,3H3
InChIKeyTYMADVTWDJXNMD-UHFFFAOYSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine?
The IUPAC name of 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine (CID 142987025) is 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine.
What is the SMILES notation for 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine?
The canonical SMILES for 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine is C=CC1=C(C)N=NCC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine?
The InChIKey is TYMADVTWDJXNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-8-6-10-11-7(3)9(8)5-2/h4-5,8H,1-2,6H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine?
4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine has a molecular weight of 148.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-6-methyl-3,4-dihydropyridazine is sourced from PubChem (CID 142987025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).