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

C7H12F2N4S — CID 63313227

IUPAC[5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCC(F)F
InChIInChI=1S/C7H12F2N4S/c1-2-13-6(3-10)11-12-7(13)14-4-5(8)9/h5H,2-4,10H2,1H3
InChIKeyMDPIHQGWLZYNDN-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.11
Rot. Bonds5

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

[5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 63313227) has the molecular formula C7H12F2N4S and a molecular weight of 222.26 g/mol. Its IUPAC name is [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
PubChem CID63313227
Molecular FormulaC7H12F2N4S
Molecular Weight222.26 g/mol
Exact Mass222.08
IUPAC Name[5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCC(F)F
InChIInChI=1S/C7H12F2N4S/c1-2-13-6(3-10)11-12-7(13)14-4-5(8)9/h5H,2-4,10H2,1H3
InChIKeyMDPIHQGWLZYNDN-UHFFFAOYSA-N
XLogP1.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine 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-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (CID 63313227) is [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1SCC(F)F.
What is the InChIKey of [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MDPIHQGWLZYNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4S/c1-2-13-6(3-10)11-12-7(13)14-4-5(8)9/h5H,2-4,10H2,1H3.
What are the key properties of [5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,2-difluoroethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 222.26 g/mol, XLogP of 1.11, 5 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-ethyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63313227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).