1,3,5-triazine;2,2,2-trifluoroacetic acid

C5H4F3N3O2 — CID 161398815

IUPAC1,3,5-triazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncncn1
InChIInChI=1S/C3H3N3.C2HF3O2/c1-4-2-6-3-5-1;3-2(4,5)1(6)7/h1-3H;(H,6,7)
InChIKeyVTYPCZPZJQEZTA-UHFFFAOYSA-N
MW195.10 g/mol
LogP0.50
Rot. Bonds

About 1,3,5-triazine;2,2,2-trifluoroacetic acid

1,3,5-triazine;2,2,2-trifluoroacetic acid (PubChem CID 161398815) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 1,3,5-triazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3,5-triazine;2,2,2-trifluoroacetic acid
PubChem CID161398815
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name1,3,5-triazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncncn1
InChIInChI=1S/C3H3N3.C2HF3O2/c1-4-2-6-3-5-1;3-2(4,5)1(6)7/h1-3H;(H,6,7)
InChIKeyVTYPCZPZJQEZTA-UHFFFAOYSA-N
XLogP0.50
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3,5-triazine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazin-2-yl 2,2,2-trifluoroacetate
CID 129697213
1,3,5-Triazine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 162334623
(4-Amino-1,3,5-triazin-2-yl) 2,2,2-trifluoroacetate
CID 174973765
Acetic acid;1,3,5-triazine
CID 160414656

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3,5-triazine;2,2,2-trifluoroacetic acid (CID 161398815) is 1,3,5-triazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3,5-triazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3,5-triazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ncncn1.
What is the InChIKey of 1,3,5-triazine;2,2,2-trifluoroacetic acid?
The InChIKey is VTYPCZPZJQEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C2HF3O2/c1-4-2-6-3-5-1;3-2(4,5)1(6)7/h1-3H;(H,6,7).
What are the key properties of 1,3,5-triazine;2,2,2-trifluoroacetic acid?
1,3,5-triazine;2,2,2-trifluoroacetic acid has a molecular weight of 195.10 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161398815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).