4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine

C8H12F3N3 — CID 154452787

IUPAC4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine
SMILESCCC1(N)C=C(C(F)(F)F)N=CC1N
InChIInChI=1S/C8H12F3N3/c1-2-7(13)3-6(8(9,10)11)14-4-5(7)12/h3-5H,2,12-13H2,1H3
InChIKeyLXGIFDBWXSTAHZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.95
Rot. Bonds1

About 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine

4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine (PubChem CID 154452787) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine
PubChem CID154452787
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine
SMILESCCC1(N)C=C(C(F)(F)F)N=CC1N
InChIInChI=1S/C8H12F3N3/c1-2-7(13)3-6(8(9,10)11)14-4-5(7)12/h3-5H,2,12-13H2,1H3
InChIKeyLXGIFDBWXSTAHZ-UHFFFAOYSA-N
XLogP0.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-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 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine?
The IUPAC name of 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine (CID 154452787) is 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine is CCC1(N)C=C(C(F)(F)F)N=CC1N.
What is the InChIKey of 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine?
The InChIKey is LXGIFDBWXSTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-2-7(13)3-6(8(9,10)11)14-4-5(7)12/h3-5H,2,12-13H2,1H3.
What are the key properties of 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine?
4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine has a molecular weight of 207.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(trifluoromethyl)-3H-pyridine-3,4-diamine is sourced from PubChem (CID 154452787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).