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

C4H2F3N3 — CID 90993457

IUPAC6-(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1cncnn1
InChIInChI=1S/C4H2F3N3/c5-4(6,7)3-1-8-2-9-10-3/h1-2H
InChIKeyLGZCRQKXSJKWOE-UHFFFAOYSA-N
MW149.08 g/mol
LogP0.89
Rot. Bonds

About 6-(trifluoromethyl)-1,2,4-triazine

6-(trifluoromethyl)-1,2,4-triazine (PubChem CID 90993457) has the molecular formula C4H2F3N3 and a molecular weight of 149.08 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2,4-triazine
PubChem CID90993457
Molecular FormulaC4H2F3N3
Molecular Weight149.08 g/mol
Exact Mass149.02
IUPAC Name6-(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1cncnn1
InChIInChI=1S/C4H2F3N3/c5-4(6,7)3-1-8-2-9-10-3/h1-2H
InChIKeyLGZCRQKXSJKWOE-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

6-(trichloromethyl)-1,2,4-triazine
CID 67584633
3,6-bis(trifluoromethyl)-1,2,4-triazine
CID 170294965
5-(trifluoromethyl)pyrimidine
CID 15273573
ethane;6-propan-2-yl-1,2,4-triazine
CID 142334326
[6-(trifluoromethyl)pyridazin-4-yl]methanamine
CID 82410670
1-[6-(trifluoromethyl)pyridazin-4-yl]ethanone
CID 155216321
ethane;6-ethyl-1,2,4-triazine
CID 142062821
5-fluoro-4-(trifluoromethyl)pyrimidine
CID 91431154
1-chloro-4-(trifluoromethyl)triazole
CID 91300537
N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine
CID 138649119
4-bromo-5-(trifluoromethyl)pyrimidine
CID 118816144
2-(pyrimidin-5-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 107588820

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 6-(trifluoromethyl)-1,2,4-triazine (CID 90993457) is 6-(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 6-(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 6-(trifluoromethyl)-1,2,4-triazine is FC(F)(F)c1cncnn1.
What is the InChIKey of 6-(trifluoromethyl)-1,2,4-triazine?
The InChIKey is LGZCRQKXSJKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3/c5-4(6,7)3-1-8-2-9-10-3/h1-2H.
What are the key properties of 6-(trifluoromethyl)-1,2,4-triazine?
6-(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 6-(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 90993457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).