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

C7H13FN4S — CID 80695220

IUPAC[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCCF
InChIInChI=1S/C7H13FN4S/c1-2-12-6(5-9)10-11-7(12)13-4-3-8/h2-5,9H2,1H3
InChIKeyJVUCKBUOJCINHH-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.82
Rot. Bonds5

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

[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 80695220) has the molecular formula C7H13FN4S and a molecular weight of 204.27 g/mol. Its IUPAC name is [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID80695220
Molecular FormulaC7H13FN4S
Molecular Weight204.27 g/mol
Exact Mass204.08
IUPAC Name[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCCF
InChIInChI=1S/C7H13FN4S/c1-2-12-6(5-9)10-11-7(12)13-4-3-8/h2-5,9H2,1H3
InChIKeyJVUCKBUOJCINHH-UHFFFAOYSA-N
XLogP0.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-ethyl-5-(2-fluoroethylsulfanyl)-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

Related Compounds

[5-(2-tert-butylsulfanylethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 114271321
[4-ethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313191
[4-ethyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 106725606
3-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 55205058
[4-ethyl-5-[2-(3-methoxypropoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 103180184
[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314085
[4-ethyl-5-[2-(2-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63313631
[4-ethyl-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313986
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313730
[4-ethyl-5-(1,2-oxazol-5-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313232
[5-[(5-chloro-2-fluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 103046802
[4-ethyl-5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 64785128

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (CID 80695220) is [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1SCCF.
What is the InChIKey of [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is JVUCKBUOJCINHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4S/c1-2-12-6(5-9)10-11-7(12)13-4-3-8/h2-5,9H2,1H3.
What are the key properties of [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
[4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 204.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(2-fluoroethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 80695220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).