N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine

C13H14F3N3 — CID 103880382

IUPACN-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2C3C4CCC(C4)C23)nn1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)8-3-4-9(19-18-8)17-12-10-6-1-2-7(5-6)11(10)12/h3-4,6-7,10-12H,1-2,5H2,(H,17,19)
InChIKeyTYYXVTQQBQOEEB-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.95
Rot. Bonds2

About N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine

N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103880382) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103880382
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2C3C4CCC(C4)C23)nn1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)8-3-4-9(19-18-8)17-12-10-6-1-2-7(5-6)11(10)12/h3-4,6-7,10-12H,1-2,5H2,(H,17,19)
InChIKeyTYYXVTQQBQOEEB-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 103880382) is N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NC2C3C4CCC(C4)C23)nn1.
What is the InChIKey of N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is TYYXVTQQBQOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)8-3-4-9(19-18-8)17-12-10-6-1-2-7(5-6)11(10)12/h3-4,6-7,10-12H,1-2,5H2,(H,17,19).
What are the key properties of N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 269.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103880382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).