5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine

C6H11FN4S — CID 81106978

IUPAC5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCCCF
InChIInChI=1S/C6H11FN4S/c1-11-5(8)9-10-6(11)12-4-2-3-7/h2-4H2,1H3,(H2,8,9)
InChIKeyIIFRZJCJESWGSV-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.85
Rot. Bonds4

About 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine

5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine (PubChem CID 81106978) has the molecular formula C6H11FN4S and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
PubChem CID81106978
Molecular FormulaC6H11FN4S
Molecular Weight190.25 g/mol
Exact Mass190.07
IUPAC Name5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCCCF
InChIInChI=1S/C6H11FN4S/c1-11-5(8)9-10-6(11)12-4-2-3-7/h2-4H2,1H3,(H2,8,9)
InChIKeyIIFRZJCJESWGSV-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-fluoropropylsulfanyl)-4-methyl-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-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine (CID 81106978) is 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine is Cn1c(N)nnc1SCCCF.
What is the InChIKey of 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is IIFRZJCJESWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4S/c1-11-5(8)9-10-6(11)12-4-2-3-7/h2-4H2,1H3,(H2,8,9).
What are the key properties of 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 190.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropylsulfanyl)-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 81106978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).