2-hepta-3,5-dien-3-yl-3H-pyridazine

C11H16N2 — CID 91480402

IUPAC2-hepta-3,5-dien-3-yl-3H-pyridazine
SMILESCC=CC=C(CC)N1CC=CC=N1
InChIInChI=1S/C11H16N2/c1-3-5-8-11(4-2)13-10-7-6-9-12-13/h3,5-9H,4,10H2,1-2H3
InChIKeyLJXRTJMDNJZVQC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds3

About 2-hepta-3,5-dien-3-yl-3H-pyridazine

2-hepta-3,5-dien-3-yl-3H-pyridazine (PubChem CID 91480402) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-hepta-3,5-dien-3-yl-3H-pyridazine.

Molecular Properties

Compound Name2-hepta-3,5-dien-3-yl-3H-pyridazine
PubChem CID91480402
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-hepta-3,5-dien-3-yl-3H-pyridazine
SMILESCC=CC=C(CC)N1CC=CC=N1
InChIInChI=1S/C11H16N2/c1-3-5-8-11(4-2)13-10-7-6-9-12-13/h3,5-9H,4,10H2,1-2H3
InChIKeyLJXRTJMDNJZVQC-UHFFFAOYSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
6-Methylidene-1-propan-2-ylpyridazine
CID 89502125
2-hexa-2,4-dien-2-yl-1-methyl-3H-pyridazin-1-ium
CID 91147295
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
2-hexa-2,4-dien-2-yl-3H-pyridazine
CID 91540705
N-(butylideneamino)-N,4,7-trimethylnona-2,4,6-trien-3-amine
CID 123469461
1-(5-Methylhept-3-en-3-yl)-6-methylidenepyridazine
CID 123569581
7-Methyl-6,7-dihydropyrrolo[1,2-b]pyridazine
CID 123587442
1-Ethyl-6-methylidenepyridazine
CID 126604962
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861

Frequently Asked Questions

What is the IUPAC name of 2-hepta-3,5-dien-3-yl-3H-pyridazine?
The IUPAC name of 2-hepta-3,5-dien-3-yl-3H-pyridazine (CID 91480402) is 2-hepta-3,5-dien-3-yl-3H-pyridazine.
What is the SMILES notation for 2-hepta-3,5-dien-3-yl-3H-pyridazine?
The canonical SMILES for 2-hepta-3,5-dien-3-yl-3H-pyridazine is CC=CC=C(CC)N1CC=CC=N1.
What is the InChIKey of 2-hepta-3,5-dien-3-yl-3H-pyridazine?
The InChIKey is LJXRTJMDNJZVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-5-8-11(4-2)13-10-7-6-9-12-13/h3,5-9H,4,10H2,1-2H3.
What are the key properties of 2-hepta-3,5-dien-3-yl-3H-pyridazine?
2-hepta-3,5-dien-3-yl-3H-pyridazine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hepta-3,5-dien-3-yl-3H-pyridazine is sourced from PubChem (CID 91480402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).