6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine

C11H12FN3 — CID 123834334

IUPAC6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine
SMILESC=CC(=CC=C(C)F)c1ccc(N)nn1
InChIInChI=1S/C11H12FN3/c1-3-9(5-4-8(2)12)10-6-7-11(13)15-14-10/h3-7H,1H2,2H3,(H2,13,15)
InChIKeyYKVXYHZQXMTZNT-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.50
Rot. Bonds3

About 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine

6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine (PubChem CID 123834334) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine
PubChem CID123834334
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine
SMILESC=CC(=CC=C(C)F)c1ccc(N)nn1
InChIInChI=1S/C11H12FN3/c1-3-9(5-4-8(2)12)10-6-7-11(13)15-14-10/h3-7H,1H2,2H3,(H2,13,15)
InChIKeyYKVXYHZQXMTZNT-UHFFFAOYSA-N
XLogP2.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine?
The IUPAC name of 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine (CID 123834334) is 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine.
What is the SMILES notation for 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine?
The canonical SMILES for 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine is C=CC(=CC=C(C)F)c1ccc(N)nn1.
What is the InChIKey of 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine?
The InChIKey is YKVXYHZQXMTZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-3-9(5-4-8(2)12)10-6-7-11(13)15-14-10/h3-7H,1H2,2H3,(H2,13,15).
What are the key properties of 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine?
6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine has a molecular weight of 205.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluorohepta-1,3,5-trien-3-yl)pyridazin-3-amine is sourced from PubChem (CID 123834334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).