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

C7H7ClN4O2S — CID 611232

IUPAC5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(C)n2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C7H7ClN4O2S/c1-4-3-5(2)12-6(9-4)10-7(11-12)15(8,13)14/h3H,1-2H3
InChIKeyRRSWSFWNULDHMF-UHFFFAOYSA-N
MW246.68 g/mol
LogP0.67
Rot. Bonds1

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

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 611232) has the molecular formula C7H7ClN4O2S and a molecular weight of 246.68 g/mol. Its IUPAC name is 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID611232
Molecular FormulaC7H7ClN4O2S
Molecular Weight246.68 g/mol
Exact Mass246.00
IUPAC Name5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(C)n2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C7H7ClN4O2S/c1-4-3-5(2)12-6(9-4)10-7(11-12)15(8,13)14/h3H,1-2H3
InChIKeyRRSWSFWNULDHMF-UHFFFAOYSA-N
XLogP0.67
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 611232) is 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is Cc1cc(C)n2nc(S(=O)(=O)Cl)nc2n1.
What is the InChIKey of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is RRSWSFWNULDHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2S/c1-4-3-5(2)12-6(9-4)10-7(11-12)15(8,13)14/h3H,1-2H3.
What are the key properties of 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 246.68 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 611232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).