6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine

C16H18FN3 — CID 67451769

IUPAC6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
SMILESC=Cc1ccc(NCC(C)(C)c2ccc(F)cc2)nn1
InChIInChI=1S/C16H18FN3/c1-4-14-9-10-15(20-19-14)18-11-16(2,3)12-5-7-13(17)8-6-12/h4-10H,1,11H2,2-3H3,(H,18,20)
InChIKeyHTFJPKSEJZVTJT-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.65
Rot. Bonds5

About 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine

6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine (PubChem CID 67451769) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
PubChem CID67451769
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
SMILESC=Cc1ccc(NCC(C)(C)c2ccc(F)cc2)nn1
InChIInChI=1S/C16H18FN3/c1-4-14-9-10-15(20-19-14)18-11-16(2,3)12-5-7-13(17)8-6-12/h4-10H,1,11H2,2-3H3,(H,18,20)
InChIKeyHTFJPKSEJZVTJT-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The IUPAC name of 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine (CID 67451769) is 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine.
What is the SMILES notation for 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The canonical SMILES for 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine is C=Cc1ccc(NCC(C)(C)c2ccc(F)cc2)nn1.
What is the InChIKey of 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The InChIKey is HTFJPKSEJZVTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-4-14-9-10-15(20-19-14)18-11-16(2,3)12-5-7-13(17)8-6-12/h4-10H,1,11H2,2-3H3,(H,18,20).
What are the key properties of 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine has a molecular weight of 271.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine is sourced from PubChem (CID 67451769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).