5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

C6H5ClN4O3S — CID 15003650

IUPAC5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1nccc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C6H5ClN4O3S/c1-14-6-8-3-2-4-9-5(10-11(4)6)15(7,12)13/h2-3H,1H3
InChIKeyIQMZZIBYELWIPS-UHFFFAOYSA-N
MW248.65 g/mol
LogP0.06
Rot. Bonds2

About 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride

5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (PubChem CID 15003650) has the molecular formula C6H5ClN4O3S and a molecular weight of 248.65 g/mol. Its IUPAC name is 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
PubChem CID15003650
Molecular FormulaC6H5ClN4O3S
Molecular Weight248.65 g/mol
Exact Mass247.98
IUPAC Name5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride
SMILESCOc1nccc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C6H5ClN4O3S/c1-14-6-8-3-2-4-9-5(10-11(4)6)15(7,12)13/h2-3H,1H3
InChIKeyIQMZZIBYELWIPS-UHFFFAOYSA-N
XLogP0.06
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride (CID 15003650) is 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is COc1nccc2nc(S(=O)(=O)Cl)nn12.
What is the InChIKey of 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
The InChIKey is IQMZZIBYELWIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O3S/c1-14-6-8-3-2-4-9-5(10-11(4)6)15(7,12)13/h2-3H,1H3.
What are the key properties of 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride?
5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride has a molecular weight of 248.65 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 15003650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).