5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride

C10H16FN3O2S — CID 165476838

IUPAC5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCC(c1nnc(S(=O)(=O)F)n1C(C)C)C1CC1
InChIInChI=1S/C10H16FN3O2S/c1-6(2)14-9(7(3)8-4-5-8)12-13-10(14)17(11,15)16/h6-8H,4-5H2,1-3H3
InChIKeyNBLSYKMSJLMRTK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds4

About 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride

5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165476838) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165476838
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCC(c1nnc(S(=O)(=O)F)n1C(C)C)C1CC1
InChIInChI=1S/C10H16FN3O2S/c1-6(2)14-9(7(3)8-4-5-8)12-13-10(14)17(11,15)16/h6-8H,4-5H2,1-3H3
InChIKeyNBLSYKMSJLMRTK-UHFFFAOYSA-N
XLogP2.03
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-cyclopropylethyl)-4-propan-2-yl-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-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 104018554
4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018824
4-Cyclopropyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazole-3-sulfonamide
CID 104021154
4-Cyclopropyl-5-(3,3-difluorocyclopentyl)-1,2,4-triazole-3-sulfonamide
CID 114226827
4-cyclopropyl-5-methyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462954
4-(2,2-dimethylpropyl)-5-ethyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462958
5-(2-methylpropyl)-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462959
4-butyl-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462993
4-(propan-2-yl)-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462995
4-cyclopropyl-5-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462996
4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165462999
5-(propan-2-yl)-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165463000

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride (CID 165476838) is 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride is CC(c1nnc(S(=O)(=O)F)n1C(C)C)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is NBLSYKMSJLMRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-6(2)14-9(7(3)8-4-5-8)12-13-10(14)17(11,15)16/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride?
5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 261.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165476838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).