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

C6H8FN3O2S — CID 165462954

IUPAC4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCc1nnc(S(=O)(=O)F)n1C1CC1
InChIInChI=1S/C6H8FN3O2S/c1-4-8-9-6(13(7,11)12)10(4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyKQEYKSZJEKAVQK-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.58
Rot. Bonds2

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

4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride (PubChem CID 165462954) has the molecular formula C6H8FN3O2S and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
PubChem CID165462954
Molecular FormulaC6H8FN3O2S
Molecular Weight205.21 g/mol
Exact Mass205.03
IUPAC Name4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride
SMILESCc1nnc(S(=O)(=O)F)n1C1CC1
InChIInChI=1S/C6H8FN3O2S/c1-4-8-9-6(13(7,11)12)10(4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyKQEYKSZJEKAVQK-UHFFFAOYSA-N
XLogP0.58
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
4-Cyclopropyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 103311339
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-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl chloride
CID 104018738
4-Cyclopropyl-5-(difluoromethyl)-4H-1,2,4-triazole-3-sulfonyl chloride
CID 104018814
4-Cyclopropyl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018942
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-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The IUPAC name of 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride (CID 165462954) is 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride.
What is the SMILES notation for 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The canonical SMILES for 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride is Cc1nnc(S(=O)(=O)F)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
The InChIKey is KQEYKSZJEKAVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2S/c1-4-8-9-6(13(7,11)12)10(4)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride?
4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride has a molecular weight of 205.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-1,2,4-triazole-3-sulfonyl fluoride is sourced from PubChem (CID 165462954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).