5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride

C9H14FN3O2S — CID 165466298

IUPAC5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCCc1nnc(S(=O)(=O)F)n1C1CC1
InChIInChI=1S/C9H14FN3O2S/c1-2-3-4-8-11-12-9(16(10,14)15)13(8)7-5-6-7/h7H,2-6H2,1H3
InChIKeyBWDLSNBZFAZMOO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.61
Rot. Bonds5

About 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride

5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165466298) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165466298
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC Name5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCCc1nnc(S(=O)(=O)F)n1C1CC1
InChIInChI=1S/C9H14FN3O2S/c1-2-3-4-8-11-12-9(16(10,14)15)13(8)7-5-6-7/h7H,2-6H2,1H3
InChIKeyBWDLSNBZFAZMOO-UHFFFAOYSA-N
XLogP1.61
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-5-pentyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165476772
4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazole-3-sulfonyl fluoride
CID 165488319
4-cyclopropyl-5-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl fluoride
CID 165466296
(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
CID 112593130
5-butan-2-yl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165465910
3-(bromomethyl)-4-cyclopropyl-5-nonyl-1,2,4-triazole
CID 115399261
(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine
CID 112593136
4-cyclopropyl-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride
CID 103167663
3-(chloromethyl)-4-cyclopropyl-5-(3-methoxypropyl)-1,2,4-triazole
CID 115397748
5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 61377064
2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole
CID 82146101
5-cyclohexyl-4-ethyl-1,2,4-triazole-3-sulfonyl fluoride
CID 165476771

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165466298) is 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride is CCCCc1nnc(S(=O)(=O)F)n1C1CC1.
What is the InChIKey of 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is BWDLSNBZFAZMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-2-3-4-8-11-12-9(16(10,14)15)13(8)7-5-6-7/h7H,2-6H2,1H3.
What are the key properties of 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride?
5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 247.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-cyclopropyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165466298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).