3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine

C6H10F3N5 — CID 66277307

IUPAC3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(CC(F)(F)F)c1n[nH]c(N)n1
InChIInChI=1S/C6H10F3N5/c1-2-14(3-6(7,8)9)5-11-4(10)12-13-5/h2-3H2,1H3,(H3,10,11,12,13)
InChIKeyWWQSYSUSABLBQJ-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.78
Rot. Bonds3

About 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine

3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66277307) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66277307
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCCN(CC(F)(F)F)c1n[nH]c(N)n1
InChIInChI=1S/C6H10F3N5/c1-2-14(3-6(7,8)9)5-11-4(10)12-13-5/h2-3H2,1H3,(H3,10,11,12,13)
InChIKeyWWQSYSUSABLBQJ-UHFFFAOYSA-N
XLogP0.78
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine 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 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine (CID 66277307) is 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine is CCN(CC(F)(F)F)c1n[nH]c(N)n1.
What is the InChIKey of 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is WWQSYSUSABLBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c1-2-14(3-6(7,8)9)5-11-4(10)12-13-5/h2-3H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 209.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66277307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).