3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

C5H3Cl2F3N4 — CID 81035504

IUPAC3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESFC(F)(F)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H3Cl2F3N4/c6-2-3(11-1-5(8,9)10)12-4(7)14-13-2/h1H2,(H,11,12,14)
InChIKeyHXUZEGKMTIDTCX-UHFFFAOYSA-N
MW247.01 g/mol
LogP2.15
Rot. Bonds2

About 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 81035504) has the molecular formula C5H3Cl2F3N4 and a molecular weight of 247.01 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID81035504
Molecular FormulaC5H3Cl2F3N4
Molecular Weight247.01 g/mol
Exact Mass245.97
IUPAC Name3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESFC(F)(F)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H3Cl2F3N4/c6-2-3(11-1-5(8,9)10)12-4(7)14-13-2/h1H2,(H,11,12,14)
InChIKeyHXUZEGKMTIDTCX-UHFFFAOYSA-N
XLogP2.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.01
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine 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 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 81035504) is 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is FC(F)(F)CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is HXUZEGKMTIDTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2F3N4/c6-2-3(11-1-5(8,9)10)12-4(7)14-13-2/h1H2,(H,11,12,14).
What are the key properties of 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 247.01 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).