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

C8H9Cl2F3N4 — CID 81036745

IUPAC3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2F3N4/c1-2-3-17(4-8(11,12)13)6-5(9)15-16-7(10)14-6/h2-4H2,1H3
InChIKeyDNTZSVLDVFNHLU-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.96
Rot. Bonds4

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

3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (PubChem CID 81036745) has the molecular formula C8H9Cl2F3N4 and a molecular weight of 289.09 g/mol. Its IUPAC name is 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
PubChem CID81036745
Molecular FormulaC8H9Cl2F3N4
Molecular Weight289.09 g/mol
Exact Mass288.02
IUPAC Name3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine
SMILESCCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2F3N4/c1-2-3-17(4-8(11,12)13)6-5(9)15-16-7(10)14-6/h2-4H2,1H3
InChIKeyDNTZSVLDVFNHLU-UHFFFAOYSA-N
XLogP2.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-N-propyl-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-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine (CID 81036745) is 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is CCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
The InChIKey is DNTZSVLDVFNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2F3N4/c1-2-3-17(4-8(11,12)13)6-5(9)15-16-7(10)14-6/h2-4H2,1H3.
What are the key properties of 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine has a molecular weight of 289.09 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).