N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C11H14F3N5S — CID 103705215

IUPACN-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCSCC(C)Nc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C11H14F3N5S/c1-3-20-6-7(2)15-8-4-5-9-16-17-10(11(12,13)14)19(9)18-8/h4-5,7H,3,6H2,1-2H3,(H,15,18)
InChIKeyNTVOLNGQNUQSEW-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.70
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 103705215) has the molecular formula C11H14F3N5S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID103705215
Molecular FormulaC11H14F3N5S
Molecular Weight305.33 g/mol
Exact Mass305.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCSCC(C)Nc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C11H14F3N5S/c1-3-20-6-7(2)15-8-4-5-9-16-17-10(11(12,13)14)19(9)18-8/h4-5,7H,3,6H2,1-2H3,(H,15,18)
InChIKeyNTVOLNGQNUQSEW-UHFFFAOYSA-N
XLogP2.70
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 103705215) is N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCSCC(C)Nc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is NTVOLNGQNUQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5S/c1-3-20-6-7(2)15-8-4-5-9-16-17-10(11(12,13)14)19(9)18-8/h4-5,7H,3,6H2,1-2H3,(H,15,18).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 305.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 103705215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).