5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

C8H9ClN4O3S — CID 15003654

IUPAC5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCCOc1nc(C)cc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C8H9ClN4O3S/c1-3-16-8-10-5(2)4-6-11-7(12-13(6)8)17(9,14)15/h4H,3H2,1-2H3
InChIKeyDXZGZWSIDANDJX-UHFFFAOYSA-N
MW276.71 g/mol
LogP0.76
Rot. Bonds3

About 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (PubChem CID 15003654) has the molecular formula C8H9ClN4O3S and a molecular weight of 276.71 g/mol. Its IUPAC name is 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
PubChem CID15003654
Molecular FormulaC8H9ClN4O3S
Molecular Weight276.71 g/mol
Exact Mass276.01
IUPAC Name5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCCOc1nc(C)cc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C8H9ClN4O3S/c1-3-16-8-10-5(2)4-6-11-7(12-13(6)8)17(9,14)15/h4H,3H2,1-2H3
InChIKeyDXZGZWSIDANDJX-UHFFFAOYSA-N
XLogP0.76
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (CID 15003654) is 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is CCOc1nc(C)cc2nc(S(=O)(=O)Cl)nn12.
What is the InChIKey of 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The InChIKey is DXZGZWSIDANDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3S/c1-3-16-8-10-5(2)4-6-11-7(12-13(6)8)17(9,14)15/h4H,3H2,1-2H3.
What are the key properties of 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride has a molecular weight of 276.71 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 15003654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).