[5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

C6H10F2N4S — CID 63315357

IUPAC[5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCC(F)F
InChIInChI=1S/C6H10F2N4S/c1-12-5(2-9)10-11-6(12)13-3-4(7)8/h4H,2-3,9H2,1H3
InChIKeyUXFLCTKOECSOLY-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.63
Rot. Bonds4

About [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

[5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63315357) has the molecular formula C6H10F2N4S and a molecular weight of 208.24 g/mol. Its IUPAC name is [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63315357
Molecular FormulaC6H10F2N4S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC Name[5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCC(F)F
InChIInChI=1S/C6H10F2N4S/c1-12-5(2-9)10-11-6(12)13-3-4(7)8/h4H,2-3,9H2,1H3
InChIKeyUXFLCTKOECSOLY-UHFFFAOYSA-N
XLogP0.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 63315357) is [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is Cn1c(CN)nnc1SCC(F)F.
What is the InChIKey of [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is UXFLCTKOECSOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4S/c1-12-5(2-9)10-11-6(12)13-3-4(7)8/h4H,2-3,9H2,1H3.
What are the key properties of [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 208.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63315357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).