3,5,6-trifluoro-1,2,4-triazine

C3F3N3 — CID 12533026

IUPAC3,5,6-trifluoro-1,2,4-triazine
SMILESFc1nnc(F)c(F)n1
InChIInChI=1S/C3F3N3/c4-1-2(5)8-9-3(6)7-1
InChIKeyOSYSZYXZSHPLQR-UHFFFAOYSA-N
MW135.05 g/mol
LogP0.29
Rot. Bonds

About 3,5,6-trifluoro-1,2,4-triazine

3,5,6-trifluoro-1,2,4-triazine (PubChem CID 12533026) has the molecular formula C3F3N3 and a molecular weight of 135.05 g/mol. Its IUPAC name is 3,5,6-trifluoro-1,2,4-triazine.

Molecular Properties

Compound Name3,5,6-trifluoro-1,2,4-triazine
PubChem CID12533026
Molecular FormulaC3F3N3
Molecular Weight135.05 g/mol
Exact Mass135.00
IUPAC Name3,5,6-trifluoro-1,2,4-triazine
SMILESFc1nnc(F)c(F)n1
InChIInChI=1S/C3F3N3/c4-1-2(5)8-9-3(6)7-1
InChIKeyOSYSZYXZSHPLQR-UHFFFAOYSA-N
XLogP0.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.05
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-1,2,4-triazine?
The IUPAC name of 3,5,6-trifluoro-1,2,4-triazine (CID 12533026) is 3,5,6-trifluoro-1,2,4-triazine.
What is the SMILES notation for 3,5,6-trifluoro-1,2,4-triazine?
The canonical SMILES for 3,5,6-trifluoro-1,2,4-triazine is Fc1nnc(F)c(F)n1.
What is the InChIKey of 3,5,6-trifluoro-1,2,4-triazine?
The InChIKey is OSYSZYXZSHPLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F3N3/c4-1-2(5)8-9-3(6)7-1.
What are the key properties of 3,5,6-trifluoro-1,2,4-triazine?
3,5,6-trifluoro-1,2,4-triazine has a molecular weight of 135.05 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-1,2,4-triazine is sourced from PubChem (CID 12533026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).