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

C13H16N2 — CID 123896861

IUPAC1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine
SMILESC#CC(=CC(C)CC)N1N=CC=CC1=C
InChIInChI=1S/C13H16N2/c1-5-11(3)10-13(6-2)15-12(4)8-7-9-14-15/h2,7-11H,4-5H2,1,3H3
InChIKeyZWZOXSAZBHRYIB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.92
Rot. Bonds3

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

1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine (PubChem CID 123896861) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine.

Molecular Properties

Compound Name1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine
PubChem CID123896861
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine
SMILESC#CC(=CC(C)CC)N1N=CC=CC1=C
InChIInChI=1S/C13H16N2/c1-5-11(3)10-13(6-2)15-12(4)8-7-9-14-15/h2,7-11H,4-5H2,1,3H3
InChIKeyZWZOXSAZBHRYIB-UHFFFAOYSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-Dihydropyridin-5-yl)-1-(5-methylhexa-3,5-dien-1-yn-3-yl)-6-methylidenepyridazine
CID 123152620
8-ethynyl-6H-pyrido[1,2-b]pyridazine
CID 123506481
1-(5-Methylhept-3-en-3-yl)-6-methylidenepyridazine
CID 123569581
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
ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine
CID 144580069
1-[(Z)-5-methylhex-3-en-1-yn-3-yl]-6-methylidenepyridazine
CID 145668185
(6Z)-1-ethenyl-5-propan-2-yl-6-propylidenepyridazine
CID 156163821
(6Z)-1-ethenyl-5-propan-2-yl-6-prop-2-enylidenepyridazine
CID 156418578
(6Z)-1-ethenyl-6-ethylidene-5-propan-2-ylpyridazine
CID 166489767
(Z)-N-(2-methylidene-6-propan-2-yl-1-pyridinyl)ethanimine
CID 169936716
(Z)-N-[(2E)-4-propan-2-yl-2-propylidene-1-pyridinyl]ethanimine
CID 169948833

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine?
The IUPAC name of 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine (CID 123896861) is 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine.
What is the SMILES notation for 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine?
The canonical SMILES for 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine is C#CC(=CC(C)CC)N1N=CC=CC1=C.
What is the InChIKey of 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine?
The InChIKey is ZWZOXSAZBHRYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-5-11(3)10-13(6-2)15-12(4)8-7-9-14-15/h2,7-11H,4-5H2,1,3H3.
What are the key properties of 1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine?
1-(5-methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine has a molecular weight of 200.28 g/mol, XLogP of 2.92, 3 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-1-yn-3-yl)-6-methylidenepyridazine is sourced from PubChem (CID 123896861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).