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

C8H9ClN4O2S — CID 14155105

IUPAC5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1nc2nc(S(=O)(=O)Cl)nn2c(C)c1C
InChIInChI=1S/C8H9ClN4O2S/c1-4-5(2)10-7-11-8(16(9,14)15)12-13(7)6(4)3/h1-3H3
InChIKeyHCKQUYBNDRFJDJ-UHFFFAOYSA-N
MW260.71 g/mol
LogP0.98
Rot. Bonds1

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

5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 14155105) has the molecular formula C8H9ClN4O2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID14155105
Molecular FormulaC8H9ClN4O2S
Molecular Weight260.71 g/mol
Exact Mass260.01
IUPAC Name5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1nc2nc(S(=O)(=O)Cl)nn2c(C)c1C
InChIInChI=1S/C8H9ClN4O2S/c1-4-5(2)10-7-11-8(16(9,14)15)12-13(7)6(4)3/h1-3H3
InChIKeyHCKQUYBNDRFJDJ-UHFFFAOYSA-N
XLogP0.98
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 14155105) is 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is Cc1nc2nc(S(=O)(=O)Cl)nn2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is HCKQUYBNDRFJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S/c1-4-5(2)10-7-11-8(16(9,14)15)12-13(7)6(4)3/h1-3H3.
What are the key properties of 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 260.71 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 14155105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).