5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H15F3N4OS — CID 95349086

IUPAC5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S[C@@H]([C@H]3CCCO3)C(F)(F)F)nc2n1
InChIInChI=1S/C13H15F3N4OS/c1-7-6-8(2)20-11(17-7)18-12(19-20)22-10(13(14,15)16)9-4-3-5-21-9/h6,9-10H,3-5H2,1-2H3/t9-,10+/m1/s1
InChIKeyFREYOKHTCABJEQ-ZJUUUORDSA-N
MW332.35 g/mol
LogP2.94
Rot. Bonds3

About 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 95349086) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID95349086
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S[C@@H]([C@H]3CCCO3)C(F)(F)F)nc2n1
InChIInChI=1S/C13H15F3N4OS/c1-7-6-8(2)20-11(17-7)18-12(19-20)22-10(13(14,15)16)9-4-3-5-21-9/h6,9-10H,3-5H2,1-2H3/t9-,10+/m1/s1
InChIKeyFREYOKHTCABJEQ-ZJUUUORDSA-N
XLogP2.94
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 95349086) is 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(S[C@@H]([C@H]3CCCO3)C(F)(F)F)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FREYOKHTCABJEQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-7-6-8(2)20-11(17-7)18-12(19-20)22-10(13(14,15)16)9-4-3-5-21-9/h6,9-10H,3-5H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 332.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(1S)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95349086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).