6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

C7H6ClFN4O2S — CID 19802985

IUPAC6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1nc2nc(S(=O)(=O)Cl)nn2c(C)c1F
InChIInChI=1S/C7H6ClFN4O2S/c1-3-5(9)4(2)13-6(10-3)11-7(12-13)16(8,14)15/h1-2H3
InChIKeyUJDLYOHFYHNJRB-UHFFFAOYSA-N
MW264.67 g/mol
LogP0.81
Rot. Bonds1

About 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 19802985) has the molecular formula C7H6ClFN4O2S and a molecular weight of 264.67 g/mol. Its IUPAC name is 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID19802985
Molecular FormulaC7H6ClFN4O2S
Molecular Weight264.67 g/mol
Exact Mass263.99
IUPAC Name6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1nc2nc(S(=O)(=O)Cl)nn2c(C)c1F
InChIInChI=1S/C7H6ClFN4O2S/c1-3-5(9)4(2)13-6(10-3)11-7(12-13)16(8,14)15/h1-2H3
InChIKeyUJDLYOHFYHNJRB-UHFFFAOYSA-N
XLogP0.81
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 19802985) is 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is Cc1nc2nc(S(=O)(=O)Cl)nn2c(C)c1F.
What is the InChIKey of 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is UJDLYOHFYHNJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN4O2S/c1-3-5(9)4(2)13-6(10-3)11-7(12-13)16(8,14)15/h1-2H3.
What are the key properties of 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 264.67 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 19802985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).