4-(trifluoromethyl)triazine

C4H2F3N3 — CID 18008404

IUPAC4-(trifluoromethyl)triazine
SMILESFC(F)(F)c1ccnnn1
InChIInChI=1S/C4H2F3N3/c5-4(6,7)3-1-2-8-10-9-3/h1-2H
InChIKeySRJXASAQSLTLNT-UHFFFAOYSA-N
MW149.08 g/mol
LogP0.89
Rot. Bonds

About 4-(trifluoromethyl)triazine

4-(trifluoromethyl)triazine (PubChem CID 18008404) has the molecular formula C4H2F3N3 and a molecular weight of 149.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)triazine.

Molecular Properties

Compound Name4-(trifluoromethyl)triazine
PubChem CID18008404
Molecular FormulaC4H2F3N3
Molecular Weight149.08 g/mol
Exact Mass149.02
IUPAC Name4-(trifluoromethyl)triazine
SMILESFC(F)(F)c1ccnnn1
InChIInChI=1S/C4H2F3N3/c5-4(6,7)3-1-2-8-10-9-3/h1-2H
InChIKeySRJXASAQSLTLNT-UHFFFAOYSA-N
XLogP0.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(trifluoromethyl)triazine 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 4-(trifluoromethyl)triazine?
The IUPAC name of 4-(trifluoromethyl)triazine (CID 18008404) is 4-(trifluoromethyl)triazine.
What is the SMILES notation for 4-(trifluoromethyl)triazine?
The canonical SMILES for 4-(trifluoromethyl)triazine is FC(F)(F)c1ccnnn1.
What is the InChIKey of 4-(trifluoromethyl)triazine?
The InChIKey is SRJXASAQSLTLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3/c5-4(6,7)3-1-2-8-10-9-3/h1-2H.
What are the key properties of 4-(trifluoromethyl)triazine?
4-(trifluoromethyl)triazine has a molecular weight of 149.08 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)triazine is sourced from PubChem (CID 18008404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).