6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine

C7H8F3N3 — CID 122642795

IUPAC6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine
SMILESCC(C)c1cnc(C(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3/c1-4(2)5-3-11-6(13-12-5)7(8,9)10/h3-4H,1-2H3
InChIKeyYQUZODIJAANRHV-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.01
Rot. Bonds1

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

6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine (PubChem CID 122642795) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine
PubChem CID122642795
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine
SMILESCC(C)c1cnc(C(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3/c1-4(2)5-3-11-6(13-12-5)7(8,9)10/h3-4H,1-2H3
InChIKeyYQUZODIJAANRHV-UHFFFAOYSA-N
XLogP2.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine (CID 122642795) is 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine is CC(C)c1cnc(C(F)(F)F)nn1.
What is the InChIKey of 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine?
The InChIKey is YQUZODIJAANRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-4(2)5-3-11-6(13-12-5)7(8,9)10/h3-4H,1-2H3.
What are the key properties of 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine?
6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine has a molecular weight of 191.16 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 122642795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).