6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine

C12H10F3N5 — CID 15669955

IUPAC6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(/C=C/c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5/c13-12(14,15)8-4-2-1-3-7(8)5-6-9-18-10(16)20-11(17)19-9/h1-6H,(H4,16,17,18,19,20)/b6-5+
InChIKeyJWVFMHUCPKPINK-AATRIKPKSA-N
MW281.24 g/mol
LogP2.23
Rot. Bonds2

About 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine

6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 15669955) has the molecular formula C12H10F3N5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine
PubChem CID15669955
Molecular FormulaC12H10F3N5
Molecular Weight281.24 g/mol
Exact Mass281.09
IUPAC Name6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(/C=C/c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5/c13-12(14,15)8-4-2-1-3-7(8)5-6-9-18-10(16)20-11(17)19-9/h1-6H,(H4,16,17,18,19,20)/b6-5+
InChIKeyJWVFMHUCPKPINK-AATRIKPKSA-N
XLogP2.23
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-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 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine (CID 15669955) is 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(/C=C/c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JWVFMHUCPKPINK-AATRIKPKSA-N. The full InChI is InChI=1S/C12H10F3N5/c13-12(14,15)8-4-2-1-3-7(8)5-6-9-18-10(16)20-11(17)19-9/h1-6H,(H4,16,17,18,19,20)/b6-5+.
What are the key properties of 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine?
6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 281.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15669955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).