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

C9H11F3N4 — CID 126815495

IUPAC5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine
SMILESCc1nnc(N2CC(C(F)(F)F)C2)nc1C
InChIInChI=1S/C9H11F3N4/c1-5-6(2)14-15-8(13-5)16-3-7(4-16)9(10,11)12/h7H,3-4H2,1-2H3
InChIKeyASVRSDRMEVLCCL-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.49
Rot. Bonds1

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

5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine (PubChem CID 126815495) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine
PubChem CID126815495
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine
SMILESCc1nnc(N2CC(C(F)(F)F)C2)nc1C
InChIInChI=1S/C9H11F3N4/c1-5-6(2)14-15-8(13-5)16-3-7(4-16)9(10,11)12/h7H,3-4H2,1-2H3
InChIKeyASVRSDRMEVLCCL-UHFFFAOYSA-N
XLogP1.49
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.49
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-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine (CID 126815495) is 5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine is Cc1nnc(N2CC(C(F)(F)F)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine?
The InChIKey is ASVRSDRMEVLCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-5-6(2)14-15-8(13-5)16-3-7(4-16)9(10,11)12/h7H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine?
5,6-dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine has a molecular weight of 232.21 g/mol, XLogP of 1.49, 1 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-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 126815495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).