5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine

C11H15F3N4 — CID 131962913

IUPAC5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine
SMILESCc1nnc(N2CC(C)(CC(F)(F)F)C2)nc1C
InChIInChI=1S/C11H15F3N4/c1-7-8(2)16-17-9(15-7)18-5-10(3,6-18)4-11(12,13)14/h4-6H2,1-3H3
InChIKeyHUUYXFBJNYFOCW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.27
Rot. Bonds2

About 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine

5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine (PubChem CID 131962913) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine
PubChem CID131962913
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine
SMILESCc1nnc(N2CC(C)(CC(F)(F)F)C2)nc1C
InChIInChI=1S/C11H15F3N4/c1-7-8(2)16-17-9(15-7)18-5-10(3,6-18)4-11(12,13)14/h4-6H2,1-3H3
InChIKeyHUUYXFBJNYFOCW-UHFFFAOYSA-N
XLogP2.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine (CID 131962913) is 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine is Cc1nnc(N2CC(C)(CC(F)(F)F)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine?
The InChIKey is HUUYXFBJNYFOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-7-8(2)16-17-9(15-7)18-5-10(3,6-18)4-11(12,13)14/h4-6H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine?
5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine has a molecular weight of 260.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 131962913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).