[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine

C6H5F3N6S — CID 107305994

IUPAC[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2nc(C(F)(F)F)ns2)n1
InChIInChI=1S/C6H5F3N6S/c7-6(8,9)4-12-5(16-14-4)15-2-11-3(1-10)13-15/h2H,1,10H2
InChIKeyMUSURZNZQIMDMK-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.60
Rot. Bonds2

About [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine

[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 107305994) has the molecular formula C6H5F3N6S and a molecular weight of 250.21 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID107305994
Molecular FormulaC6H5F3N6S
Molecular Weight250.21 g/mol
Exact Mass250.02
IUPAC Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2nc(C(F)(F)F)ns2)n1
InChIInChI=1S/C6H5F3N6S/c7-6(8,9)4-12-5(16-14-4)15-2-11-3(1-10)13-15/h2H,1,10H2
InChIKeyMUSURZNZQIMDMK-UHFFFAOYSA-N
XLogP0.60
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine (CID 107305994) is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine is NCc1ncn(-c2nc(C(F)(F)F)ns2)n1.
What is the InChIKey of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MUSURZNZQIMDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N6S/c7-6(8,9)4-12-5(16-14-4)15-2-11-3(1-10)13-15/h2H,1,10H2.
What are the key properties of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine?
[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 250.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 107305994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).