5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

C7H4ClF3N4O3S — CID 19809842

IUPAC5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1ncc(C(F)(F)F)c2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C7H4ClF3N4O3S/c1-18-6-12-2-3(7(9,10)11)4-13-5(14-15(4)6)19(8,16)17/h2H,1H3
InChIKeySMOMVYBKTJJQPU-UHFFFAOYSA-N
MW316.65 g/mol
LogP1.08
Rot. Bonds2

About 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (PubChem CID 19809842) has the molecular formula C7H4ClF3N4O3S and a molecular weight of 316.65 g/mol. Its IUPAC name is 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
PubChem CID19809842
Molecular FormulaC7H4ClF3N4O3S
Molecular Weight316.65 g/mol
Exact Mass315.96
IUPAC Name5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1ncc(C(F)(F)F)c2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C7H4ClF3N4O3S/c1-18-6-12-2-3(7(9,10)11)4-13-5(14-15(4)6)19(8,16)17/h2H,1H3
InChIKeySMOMVYBKTJJQPU-UHFFFAOYSA-N
XLogP1.08
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (CID 19809842) is 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is COc1ncc(C(F)(F)F)c2nc(S(=O)(=O)Cl)nn12.
What is the InChIKey of 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The InChIKey is SMOMVYBKTJJQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N4O3S/c1-18-6-12-2-3(7(9,10)11)4-13-5(14-15(4)6)19(8,16)17/h2H,1H3.
What are the key properties of 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride has a molecular weight of 316.65 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 19809842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).