1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine

C11H10N2 — CID 123312557

IUPAC1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine
SMILESC#CC(=CC=C)N1N=CC=CC1=C
InChIInChI=1S/C11H10N2/c1-4-7-11(5-2)13-10(3)8-6-9-12-13/h2,4,6-9H,1,3H2
InChIKeyVGKATVPIMIFVCO-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.06
Rot. Bonds2

About 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine

1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine (PubChem CID 123312557) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine.

Molecular Properties

Compound Name1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine
PubChem CID123312557
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine
SMILESC#CC(=CC=C)N1N=CC=CC1=C
InChIInChI=1S/C11H10N2/c1-4-7-11(5-2)13-10(3)8-6-9-12-13/h2,4,6-9H,1,3H2
InChIKeyVGKATVPIMIFVCO-UHFFFAOYSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-6-methylidenepyridazine
CID 57558126
(Z)-N-(2-methyl-6-methylidene-1-pyridinyl)ethanimine
CID 88272988
(6Z)-1-methyl-6-prop-2-enylidenepyridazine
CID 88886126
6-Methylidene-1-propan-2-ylpyridazine
CID 89502125
2-hexa-2,4-dien-2-yl-1-methyl-3H-pyridazin-1-ium
CID 91147295
2-hexa-2,4-dien-2-yl-3H-pyridazine
CID 91540705
6-Methylidene-1-prop-2-ynylpyridazine
CID 123473401
8-ethynyl-6H-pyrido[1,2-b]pyridazine
CID 123506481
1-Ethyl-6-methylidenepyridazine
CID 126604962
(Z)-N-(2-methylidene-1-pyridinyl)prop-2-en-1-imine
CID 131981905
1-Tert-butyl-6-methylidenepyridazine
CID 131997817
6-methylidene-1-[(Z)-prop-1-enyl]pyridazine
CID 134269361

Frequently Asked Questions

What is the IUPAC name of 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine?
The IUPAC name of 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine (CID 123312557) is 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine.
What is the SMILES notation for 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine?
The canonical SMILES for 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine is C#CC(=CC=C)N1N=CC=CC1=C.
What is the InChIKey of 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine?
The InChIKey is VGKATVPIMIFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-4-7-11(5-2)13-10(3)8-6-9-12-13/h2,4,6-9H,1,3H2.
What are the key properties of 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine?
1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine has a molecular weight of 170.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine is sourced from PubChem (CID 123312557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).