N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C10H6F3N5S — CID 3317043

IUPACN-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESFC(F)(F)c1nnc2sc(Nc3ccccc3)nn12
InChIInChI=1S/C10H6F3N5S/c11-10(12,13)7-15-16-9-18(7)17-8(19-9)14-6-4-2-1-3-5-6/h1-5H,(H,14,17)
InChIKeyNQYSRLFQVBYNLQ-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.95
Rot. Bonds2

About N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 3317043) has the molecular formula C10H6F3N5S and a molecular weight of 285.25 g/mol. Its IUPAC name is N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound NameN-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID3317043
Molecular FormulaC10H6F3N5S
Molecular Weight285.25 g/mol
Exact Mass285.03
IUPAC NameN-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESFC(F)(F)c1nnc2sc(Nc3ccccc3)nn12
InChIInChI=1S/C10H6F3N5S/c11-10(12,13)7-15-16-9-18(7)17-8(19-9)14-6-4-2-1-3-5-6/h1-5H,(H,14,17)
InChIKeyNQYSRLFQVBYNLQ-UHFFFAOYSA-N
XLogP2.95
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 3317043) is N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is FC(F)(F)c1nnc2sc(Nc3ccccc3)nn12.
What is the InChIKey of N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is NQYSRLFQVBYNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5S/c11-10(12,13)7-15-16-9-18(7)17-8(19-9)14-6-4-2-1-3-5-6/h1-5H,(H,14,17).
What are the key properties of N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 285.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 3317043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).