4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride

C11H17FN4O2S — CID 154880654

IUPAC4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(c2nnc3n2CCCC3)CC1
InChIInChI=1S/C11H17FN4O2S/c12-19(17,18)15-7-4-9(5-8-15)11-14-13-10-3-1-2-6-16(10)11/h9H,1-8H2
InChIKeyWICBFUUCVLWSQO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.01
Rot. Bonds2

About 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride

4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride (PubChem CID 154880654) has the molecular formula C11H17FN4O2S and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride
PubChem CID154880654
Molecular FormulaC11H17FN4O2S
Molecular Weight288.35 g/mol
Exact Mass288.11
IUPAC Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(c2nnc3n2CCCC3)CC1
InChIInChI=1S/C11H17FN4O2S/c12-19(17,18)15-7-4-9(5-8-15)11-14-13-10-3-1-2-6-16(10)11/h9H,1-8H2
InChIKeyWICBFUUCVLWSQO-UHFFFAOYSA-N
XLogP1.01
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride?
The IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride (CID 154880654) is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride is O=S(=O)(F)N1CCC(c2nnc3n2CCCC3)CC1.
What is the InChIKey of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride?
The InChIKey is WICBFUUCVLWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2S/c12-19(17,18)15-7-4-9(5-8-15)11-14-13-10-3-1-2-6-16(10)11/h9H,1-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride?
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride has a molecular weight of 288.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-sulfonyl fluoride is sourced from PubChem (CID 154880654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).