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

C6H5F3N6S — CID 114450244

IUPAC[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C6H5F3N6S/c7-6(8,9)4-12-13-5(16-4)15-2-11-3(1-10)14-15/h2H,1,10H2
InChIKeyNTHSZUOKEAPKQV-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.60
Rot. Bonds2

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

[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 114450244) has the molecular formula C6H5F3N6S and a molecular weight of 250.21 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID114450244
Molecular FormulaC6H5F3N6S
Molecular Weight250.21 g/mol
Exact Mass250.02
IUPAC Name[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C6H5F3N6S/c7-6(8,9)4-12-13-5(16-4)15-2-11-3(1-10)14-15/h2H,1,10H2
InChIKeyNTHSZUOKEAPKQV-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-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine (CID 114450244) is [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine is NCc1ncn(-c2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is NTHSZUOKEAPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N6S/c7-6(8,9)4-12-13-5(16-4)15-2-11-3(1-10)14-15/h2H,1,10H2.
What are the key properties of [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine?
[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 114450244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).