4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride

C8H14FN3O2S — CID 165462995

IUPAC4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCc1nnc(S(=O)(=O)F)n1C(C)C
InChIInChI=1S/C8H14FN3O2S/c1-4-5-7-10-11-8(15(9,13)14)12(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyBXQHUKOGJWPJJJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.47
Rot. Bonds4

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

4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165462995) has the molecular formula C8H14FN3O2S and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165462995
Molecular FormulaC8H14FN3O2S
Molecular Weight235.28 g/mol
Exact Mass235.08
IUPAC Name4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCCCc1nnc(S(=O)(=O)F)n1C(C)C
InChIInChI=1S/C8H14FN3O2S/c1-4-5-7-10-11-8(15(9,13)14)12(7)6(2)3/h6H,4-5H2,1-3H3
InChIKeyBXQHUKOGJWPJJJ-UHFFFAOYSA-N
XLogP1.47
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 103311338
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propyl-1,2,4-triazole-3-sulfonyl chloride
CID 103311341
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 103311343
4-(propan-2-yl)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl chloride
CID 104018466
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-(difluoromethyl)-4H-1,2,4-triazole-3-sulfonyl chloride
CID 104018814
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
4-ethyl-5-(1,1,2,2-tetrafluoroethyl)-4H-1,2,4-triazole-3-sulfonyl chloride
CID 104019478

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165462995) is 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride is CCCc1nnc(S(=O)(=O)F)n1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is BXQHUKOGJWPJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O2S/c1-4-5-7-10-11-8(15(9,13)14)12(7)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride?
4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 235.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-propyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).