4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride

C7H10ClN3O2S — CID 84699118

IUPAC4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1nnn2c1CCCC2
InChIInChI=1S/C7H10ClN3O2S/c8-14(12,13)5-6-7-3-1-2-4-11(7)10-9-6/h1-5H2
InChIKeyKKRMJJKIOFPJFE-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.68
Rot. Bonds2

About 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride

4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride (PubChem CID 84699118) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride
PubChem CID84699118
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1nnn2c1CCCC2
InChIInChI=1S/C7H10ClN3O2S/c8-14(12,13)5-6-7-3-1-2-4-11(7)10-9-6/h1-5H2
InChIKeyKKRMJJKIOFPJFE-UHFFFAOYSA-N
XLogP0.68
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride?
The IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride (CID 84699118) is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride.
What is the SMILES notation for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride?
The canonical SMILES for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1nnn2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride?
The InChIKey is KKRMJJKIOFPJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c8-14(12,13)5-6-7-3-1-2-4-11(7)10-9-6/h1-5H2.
What are the key properties of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride?
4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride has a molecular weight of 235.70 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanesulfonyl chloride is sourced from PubChem (CID 84699118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).