3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine

C14H21FN2O — CID 123964048

IUPAC3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine
SMILESC=C(OCC)c1nnc(C(C)C)cc1C(C)(C)F
InChIInChI=1S/C14H21FN2O/c1-7-18-10(4)13-11(14(5,6)15)8-12(9(2)3)16-17-13/h8-9H,4,7H2,1-3,5-6H3
InChIKeyNZSYZXZIZVAHOC-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.81
Rot. Bonds5

About 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine

3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine (PubChem CID 123964048) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine
PubChem CID123964048
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine
SMILESC=C(OCC)c1nnc(C(C)C)cc1C(C)(C)F
InChIInChI=1S/C14H21FN2O/c1-7-18-10(4)13-11(14(5,6)15)8-12(9(2)3)16-17-13/h8-9H,4,7H2,1-3,5-6H3
InChIKeyNZSYZXZIZVAHOC-UHFFFAOYSA-N
XLogP3.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(1-Ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-methylpyridazine
CID 117864878
4-(1,1-Difluoroethyl)-3-(1-ethoxyethenyl)-6-methylpyridazine
CID 117865203
6-(1,1-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxymethyl]-3-propylpyridazine
CID 117885600
6-(Difluoromethyl)-4-[(2-methylpropan-2-yl)oxymethyl]-3-propylpyridazine
CID 117885673
6-Tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine
CID 121391280
6-Tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine
CID 121391285
4-(1,1-Difluoroethyl)-3-(1-ethoxyethenyl)-6-propan-2-ylpyridazine
CID 123141761
3-(1-Ethoxyethenyl)-6-(trifluoromethyl)pyridazine
CID 124107792
3-(1-Ethoxyethenyl)-5-(trifluoromethyl)pyridazine
CID 169267285
3-(1-Ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine
CID 173568303
3-(1-Ethoxyethenyl)-6-(6-prop-1-en-2-ylpyridazin-3-yl)pyridazine
CID 59592013
3-(Diethoxymethyl)-4-methyl-6-phenylpyridazine
CID 67149429

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine?
The IUPAC name of 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine (CID 123964048) is 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine?
The canonical SMILES for 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine is C=C(OCC)c1nnc(C(C)C)cc1C(C)(C)F.
What is the InChIKey of 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine?
The InChIKey is NZSYZXZIZVAHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-7-18-10(4)13-11(14(5,6)15)8-12(9(2)3)16-17-13/h8-9H,4,7H2,1-3,5-6H3.
What are the key properties of 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine?
3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine has a molecular weight of 252.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine is sourced from PubChem (CID 123964048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).