3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

C10H9F3N8S — CID 133369542

IUPAC3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESCc1nc2ncnn2c(Sc2nnc(C(F)(F)F)n2N)c1C
InChIInChI=1S/C10H9F3N8S/c1-4-5(2)17-8-15-3-16-21(8)6(4)22-9-19-18-7(20(9)14)10(11,12)13/h3H,14H2,1-2H3
InChIKeyVSLXJPHJIRHCOE-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.22
Rot. Bonds2

About 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine (PubChem CID 133369542) has the molecular formula C10H9F3N8S and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
PubChem CID133369542
Molecular FormulaC10H9F3N8S
Molecular Weight330.30 g/mol
Exact Mass330.06
IUPAC Name3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESCc1nc2ncnn2c(Sc2nnc(C(F)(F)F)n2N)c1C
InChIInChI=1S/C10H9F3N8S/c1-4-5(2)17-8-15-3-16-21(8)6(4)22-9-19-18-7(20(9)14)10(11,12)13/h3H,14H2,1-2H3
InChIKeyVSLXJPHJIRHCOE-UHFFFAOYSA-N
XLogP1.22
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine (CID 133369542) is 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine is Cc1nc2ncnn2c(Sc2nnc(C(F)(F)F)n2N)c1C.
What is the InChIKey of 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The InChIKey is VSLXJPHJIRHCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N8S/c1-4-5(2)17-8-15-3-16-21(8)6(4)22-9-19-18-7(20(9)14)10(11,12)13/h3H,14H2,1-2H3.
What are the key properties of 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine has a molecular weight of 330.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 133369542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).