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

C6H11FN4S — CID 80695051

IUPAC[5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCCF
InChIInChI=1S/C6H11FN4S/c1-11-5(4-8)9-10-6(11)12-3-2-7/h2-4,8H2,1H3
InChIKeyYGAVVFBXNAUVHP-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.34
Rot. Bonds4

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

[5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 80695051) has the molecular formula C6H11FN4S and a molecular weight of 190.25 g/mol. Its IUPAC name is [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID80695051
Molecular FormulaC6H11FN4S
Molecular Weight190.25 g/mol
Exact Mass190.07
IUPAC Name[5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCCF
InChIInChI=1S/C6H11FN4S/c1-11-5(4-8)9-10-6(11)12-3-2-7/h2-4,8H2,1H3
InChIKeyYGAVVFBXNAUVHP-UHFFFAOYSA-N
XLogP0.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine (CID 80695051) is [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is Cn1c(CN)nnc1SCCF.
What is the InChIKey of [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is YGAVVFBXNAUVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4S/c1-11-5(4-8)9-10-6(11)12-3-2-7/h2-4,8H2,1H3.
What are the key properties of [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 190.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 80695051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).