1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine

C13H20N2 — CID 123569581

IUPAC1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine
SMILESC=C1C=CC=NN1C(=CC(C)CC)CC
InChIInChI=1S/C13H20N2/c1-5-11(3)10-13(6-2)15-12(4)8-7-9-14-15/h7-11H,4-6H2,1-3H3
InChIKeyHWHMZIRXRMVCLG-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.70
Rot. Bonds4

About 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine

1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine (PubChem CID 123569581) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine.

Molecular Properties

Compound Name1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine
PubChem CID123569581
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine
SMILESC=C1C=CC=NN1C(=CC(C)CC)CC
InChIInChI=1S/C13H20N2/c1-5-11(3)10-13(6-2)15-12(4)8-7-9-14-15/h7-11H,4-6H2,1-3H3
InChIKeyHWHMZIRXRMVCLG-UHFFFAOYSA-N
XLogP3.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
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2-hepta-3,5-dien-3-yl-3H-pyridazine
CID 91480402
3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
3,6-Dimethyl-3,4-dihydropyrido[1,2-b]diazepine
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9-Ethyl-2,4,7-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123207419
7-Methyl-6,7-dihydropyrrolo[1,2-b]pyridazine
CID 123587442
1-(5-Methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine
CID 123896861
3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine
CID 123992243
N-[(6Z)-6-(4-methylpentylidene)pyridazin-1-yl]methanimine
CID 134578096
(Z)-N-[(2E)-2-butylidene-1-pyridinyl]ethanimine
CID 142427783
(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane
CID 142875403

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine?
The IUPAC name of 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine (CID 123569581) is 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine.
What is the SMILES notation for 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine?
The canonical SMILES for 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine is C=C1C=CC=NN1C(=CC(C)CC)CC.
What is the InChIKey of 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine?
The InChIKey is HWHMZIRXRMVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-11(3)10-13(6-2)15-12(4)8-7-9-14-15/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine?
1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine has a molecular weight of 204.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhept-3-en-3-yl)-6-methylidenepyridazine is sourced from PubChem (CID 123569581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).