N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine

C8H10F3N5S — CID 114354049

IUPACN-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1nnc2sc(CNCC(F)(F)F)nn12
InChIInChI=1S/C8H10F3N5S/c1-2-5-13-14-7-16(5)15-6(17-7)3-12-4-8(9,10)11/h12H,2-4H2,1H3
InChIKeyYRUDQWCXBONWAT-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.40
Rot. Bonds4

About N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 114354049) has the molecular formula C8H10F3N5S and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID114354049
Molecular FormulaC8H10F3N5S
Molecular Weight265.26 g/mol
Exact Mass265.06
IUPAC NameN-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1nnc2sc(CNCC(F)(F)F)nn12
InChIInChI=1S/C8H10F3N5S/c1-2-5-13-14-7-16(5)15-6(17-7)3-12-4-8(9,10)11/h12H,2-4H2,1H3
InChIKeyYRUDQWCXBONWAT-UHFFFAOYSA-N
XLogP1.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine (CID 114354049) is N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine is CCc1nnc2sc(CNCC(F)(F)F)nn12.
What is the InChIKey of N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is YRUDQWCXBONWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5S/c1-2-5-13-14-7-16(5)15-6(17-7)3-12-4-8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 265.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114354049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).