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

C5H8F2N4S — CID 63313237

IUPAC[5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SC(F)F
InChIInChI=1S/C5H8F2N4S/c1-11-3(2-8)9-10-5(11)12-4(6)7/h4H,2,8H2,1H3
InChIKeyQVBYJDIVEJAERX-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.59
Rot. Bonds3

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

[5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63313237) has the molecular formula C5H8F2N4S and a molecular weight of 194.21 g/mol. Its IUPAC name is [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63313237
Molecular FormulaC5H8F2N4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name[5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SC(F)F
InChIInChI=1S/C5H8F2N4S/c1-11-3(2-8)9-10-5(11)12-4(6)7/h4H,2,8H2,1H3
InChIKeyQVBYJDIVEJAERX-UHFFFAOYSA-N
XLogP0.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 63313237) is [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is Cn1c(CN)nnc1SC(F)F.
What is the InChIKey of [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is QVBYJDIVEJAERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4S/c1-11-3(2-8)9-10-5(11)12-4(6)7/h4H,2,8H2,1H3.
What are the key properties of [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 194.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63313237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).