3,6-bis(trifluoromethyl)-1,2,4-triazine

C5HF6N3 — CID 170294965

IUPAC3,6-bis(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1cnc(C(F)(F)F)nn1
InChIInChI=1S/C5HF6N3/c6-4(7,8)2-1-12-3(14-13-2)5(9,10)11/h1H
InChIKeyYHOUOJDKKOGLGG-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.91
Rot. Bonds

About 3,6-bis(trifluoromethyl)-1,2,4-triazine

3,6-bis(trifluoromethyl)-1,2,4-triazine (PubChem CID 170294965) has the molecular formula C5HF6N3 and a molecular weight of 217.07 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-bis(trifluoromethyl)-1,2,4-triazine
PubChem CID170294965
Molecular FormulaC5HF6N3
Molecular Weight217.07 g/mol
Exact Mass217.01
IUPAC Name3,6-bis(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1cnc(C(F)(F)F)nn1
InChIInChI=1S/C5HF6N3/c6-4(7,8)2-1-12-3(14-13-2)5(9,10)11/h1H
InChIKeyYHOUOJDKKOGLGG-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethyl)-1,2,4-triazine
CID 90993457
[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid
CID 55263556
3-hex-5-ynoxy-6-(trifluoromethyl)-1,2,4-triazine
CID 15162607
trimethyl-[5-(trifluoromethyl)pyrazin-2-yl]stannane
CID 131748996
5-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride
CID 122129918
2-chloro-5-(trifluoromethyl)pyrazine;ethane
CID 144826305
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrazin-2-yl]pyrazine
CID 176747479
5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine
CID 153355540
[5-(trifluoromethyl)pyrazin-2-yl]boronic acid
CID 119086011
3-bromo-2-chloro-5-(trifluoromethyl)pyrazine
CID 130116239
4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
CID 168939240
2,4-bis(trifluoromethyl)-1,3,5-triazine
CID 91614506

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 3,6-bis(trifluoromethyl)-1,2,4-triazine (CID 170294965) is 3,6-bis(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 3,6-bis(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 3,6-bis(trifluoromethyl)-1,2,4-triazine is FC(F)(F)c1cnc(C(F)(F)F)nn1.
What is the InChIKey of 3,6-bis(trifluoromethyl)-1,2,4-triazine?
The InChIKey is YHOUOJDKKOGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF6N3/c6-4(7,8)2-1-12-3(14-13-2)5(9,10)11/h1H.
What are the key properties of 3,6-bis(trifluoromethyl)-1,2,4-triazine?
3,6-bis(trifluoromethyl)-1,2,4-triazine has a molecular weight of 217.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 170294965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).