5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

C10H12FN5O3S — CID 104643384

IUPAC5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(-c2ccc(F)cn2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H12FN5O3S/c1-19-5-4-16-9(8-3-2-7(11)6-13-8)14-15-10(16)20(12,17)18/h2-3,6H,4-5H2,1H3,(H2,12,17,18)
InChIKeyIQGIDIOMUXNMNF-UHFFFAOYSA-N
MW301.30 g/mol
LogP-0.23
Rot. Bonds5

About 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 104643384) has the molecular formula C10H12FN5O3S and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
PubChem CID104643384
Molecular FormulaC10H12FN5O3S
Molecular Weight301.30 g/mol
Exact Mass301.06
IUPAC Name5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
SMILESCOCCn1c(-c2ccc(F)cn2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H12FN5O3S/c1-19-5-4-16-9(8-3-2-7(11)6-13-8)14-15-10(16)20(12,17)18/h2-3,6H,4-5H2,1H3,(H2,12,17,18)
InChIKeyIQGIDIOMUXNMNF-UHFFFAOYSA-N
XLogP-0.23
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide (CID 104643384) is 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide is COCCn1c(-c2ccc(F)cn2)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is IQGIDIOMUXNMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O3S/c1-19-5-4-16-9(8-3-2-7(11)6-13-8)14-15-10(16)20(12,17)18/h2-3,6H,4-5H2,1H3,(H2,12,17,18).
What are the key properties of 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide?
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 301.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 104643384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).