5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine

C6H10F2N4S — CID 63096297

IUPAC5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SC(F)F
InChIInChI=1S/C6H10F2N4S/c1-3(2)12-5(9)10-11-6(12)13-4(7)8/h3-4H,1-2H3,(H2,9,10)
InChIKeyUBQFPVNOFBQSAR-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.76
Rot. Bonds3

About 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine

5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 63096297) has the molecular formula C6H10F2N4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID63096297
Molecular FormulaC6H10F2N4S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC Name5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SC(F)F
InChIInChI=1S/C6H10F2N4S/c1-3(2)12-5(9)10-11-6(12)13-4(7)8/h3-4H,1-2H3,(H2,9,10)
InChIKeyUBQFPVNOFBQSAR-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine 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-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine (CID 63096297) is 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1c(N)nnc1SC(F)F.
What is the InChIKey of 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is UBQFPVNOFBQSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4S/c1-3(2)12-5(9)10-11-6(12)13-4(7)8/h3-4H,1-2H3,(H2,9,10).
What are the key properties of 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 208.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63096297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).