2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine

C12H14N4O2S — CID 146144465

IUPAC2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine
SMILESO=S(=O)(CCn1cc(C2CC2)nn1)c1ccccn1
InChIInChI=1S/C12H14N4O2S/c17-19(18,12-3-1-2-6-13-12)8-7-16-9-11(14-15-16)10-4-5-10/h1-3,6,9-10H,4-5,7-8H2
InChIKeyUKTGWGGKBXHBJG-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine

2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine (PubChem CID 146144465) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine.

Molecular Properties

Compound Name2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine
PubChem CID146144465
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine
SMILESO=S(=O)(CCn1cc(C2CC2)nn1)c1ccccn1
InChIInChI=1S/C12H14N4O2S/c17-19(18,12-3-1-2-6-13-12)8-7-16-9-11(14-15-16)10-4-5-10/h1-3,6,9-10H,4-5,7-8H2
InChIKeyUKTGWGGKBXHBJG-UHFFFAOYSA-N
XLogP1.02
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine?
The IUPAC name of 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine (CID 146144465) is 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine.
What is the SMILES notation for 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine?
The canonical SMILES for 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine is O=S(=O)(CCn1cc(C2CC2)nn1)c1ccccn1.
What is the InChIKey of 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine?
The InChIKey is UKTGWGGKBXHBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-19(18,12-3-1-2-6-13-12)8-7-16-9-11(14-15-16)10-4-5-10/h1-3,6,9-10H,4-5,7-8H2.
What are the key properties of 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine?
2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine has a molecular weight of 278.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopropyltriazol-1-yl)ethylsulfonyl]pyridine is sourced from PubChem (CID 146144465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).