6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine

C10H15F3N4 — CID 79825411

IUPAC6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine
SMILESCCCN(CC(F)(F)F)c1ccc(N)c(N)n1
InChIInChI=1S/C10H15F3N4/c1-2-5-17(6-10(11,12)13)8-4-3-7(14)9(15)16-8/h3-4H,2,5-6,14H2,1H3,(H2,15,16)
InChIKeyGAKQEWXQFUZGEX-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.02
Rot. Bonds4

About 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine

6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine (PubChem CID 79825411) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine
PubChem CID79825411
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine
SMILESCCCN(CC(F)(F)F)c1ccc(N)c(N)n1
InChIInChI=1S/C10H15F3N4/c1-2-5-17(6-10(11,12)13)8-4-3-7(14)9(15)16-8/h3-4H,2,5-6,14H2,1H3,(H2,15,16)
InChIKeyGAKQEWXQFUZGEX-UHFFFAOYSA-N
XLogP2.02
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine 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 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine (CID 79825411) is 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine is CCCN(CC(F)(F)F)c1ccc(N)c(N)n1.
What is the InChIKey of 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine?
The InChIKey is GAKQEWXQFUZGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-2-5-17(6-10(11,12)13)8-4-3-7(14)9(15)16-8/h3-4H,2,5-6,14H2,1H3,(H2,15,16).
What are the key properties of 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine?
6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine has a molecular weight of 248.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79825411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).