4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride

C7H12FN3O2S — CID 165462994

IUPAC4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCc1nnc(S(=O)(=O)F)n1CC
InChIInChI=1S/C7H12FN3O2S/c1-3-5-6-9-10-7(11(6)4-2)14(8,12)13/h3-5H2,1-2H3
InChIKeyOJQKLLXNLKUGOO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.91
Rot. Bonds4

About 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride

4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165462994) has the molecular formula C7H12FN3O2S and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165462994
Molecular FormulaC7H12FN3O2S
Molecular Weight221.26 g/mol
Exact Mass221.06
IUPAC Name4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCc1nnc(S(=O)(=O)F)n1CC
InChIInChI=1S/C7H12FN3O2S/c1-3-5-6-9-10-7(11(6)4-2)14(8,12)13/h3-5H2,1-2H3
InChIKeyOJQKLLXNLKUGOO-UHFFFAOYSA-N
XLogP0.91
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sodium;4-ethyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate
CID 23720354
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 103311338
4-Ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 103311340
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 103311341
4-Ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonamide
CID 103311345
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonamide
CID 103311346
5-(Difluoromethyl)-4-(propan-2-YL)-4H-1,2,4-triazole-3-sulfonyl chloride
CID 104018545
4-Propan-2-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018671
4-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018677
4-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018692
4-Cyclopropyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018948
4-Cyclopropyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018963

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165462994) is 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride is CCCc1nnc(S(=O)(=O)F)n1CC.
What is the InChIKey of 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is OJQKLLXNLKUGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O2S/c1-3-5-6-9-10-7(11(6)4-2)14(8,12)13/h3-5H2,1-2H3.
What are the key properties of 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 221.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165462994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).