5-(trifluoromethyl)-1,2,4-triazine

C4H2F3N3 — CID 91559397

IUPAC5-(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1cnncn1
InChIInChI=1S/C4H2F3N3/c5-4(6,7)3-1-9-10-2-8-3/h1-2H
InChIKeyHDTHCAHSYLCQOC-UHFFFAOYSA-N
MW149.08 g/mol
LogP0.89
Rot. Bonds

About 5-(trifluoromethyl)-1,2,4-triazine

5-(trifluoromethyl)-1,2,4-triazine (PubChem CID 91559397) has the molecular formula C4H2F3N3 and a molecular weight of 149.08 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,4-triazine
PubChem CID91559397
Molecular FormulaC4H2F3N3
Molecular Weight149.08 g/mol
Exact Mass149.02
IUPAC Name5-(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1cnncn1
InChIInChI=1S/C4H2F3N3/c5-4(6,7)3-1-9-10-2-8-3/h1-2H
InChIKeyHDTHCAHSYLCQOC-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

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Related Compounds

1,2,4-Triazine, 5-methyl-
CID 140808
1,2,4-Triazine, 6-methyl-
CID 140809
1,2,4-Triazine, 3,5-dimethyl-
CID 141071
5-(Trifluoromethyl)-1,2,4-triazin-3-amine
CID 11542832
3-Methylthio-6-trifluoromethyl-1,2,4-triazine
CID 11063316
3-Methylthio-5-trifluoromethyl-1,2,4-triazine
CID 15162604
6-Trifluoromethyl-1,2,4-triazine
CID 90993457
3,6-Dimethyl-1,2,4-triazine
CID 22151763
1,2,4-Triazine-6-carbonitrile
CID 54480857
5-Cyano-1,2,4-triazine
CID 67242031
7-Bromo-3-trifluoromethyl-imidazo[1,2-B][1,2,4]triazine
CID 11601416
3-Trifluoromethyl-imidazo[1,2-B][1,2,4]triazine
CID 11622469

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 5-(trifluoromethyl)-1,2,4-triazine (CID 91559397) is 5-(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 5-(trifluoromethyl)-1,2,4-triazine is FC(F)(F)c1cnncn1.
What is the InChIKey of 5-(trifluoromethyl)-1,2,4-triazine?
The InChIKey is HDTHCAHSYLCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3/c5-4(6,7)3-1-9-10-2-8-3/h1-2H.
What are the key properties of 5-(trifluoromethyl)-1,2,4-triazine?
5-(trifluoromethyl)-1,2,4-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 5-(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 91559397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).