4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C13H13F6N3 — CID 571892

IUPAC4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C(C)C=C(C)N21
InChIInChI=1S/C13H13F6N3/c1-4-9-20-11(12(14,15)16,13(17,18)19)21-10-6-7(2)5-8(3)22(9)10/h5-6H,4H2,1-3H3
InChIKeyZBZSFJDMGPOLIH-UHFFFAOYSA-N
MW325.26 g/mol
LogP4.19
Rot. Bonds1

About 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 571892) has the molecular formula C13H13F6N3 and a molecular weight of 325.26 g/mol. Its IUPAC name is 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID571892
Molecular FormulaC13H13F6N3
Molecular Weight325.26 g/mol
Exact Mass325.10
IUPAC Name4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C(C)C=C(C)N21
InChIInChI=1S/C13H13F6N3/c1-4-9-20-11(12(14,15)16,13(17,18)19)21-10-6-7(2)5-8(3)22(9)10/h5-6H,4H2,1-3H3
InChIKeyZBZSFJDMGPOLIH-UHFFFAOYSA-N
XLogP4.19
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 571892) is 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C(C)C=C(C)N21.
What is the InChIKey of 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is ZBZSFJDMGPOLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N3/c1-4-9-20-11(12(14,15)16,13(17,18)19)21-10-6-7(2)5-8(3)22(9)10/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 325.26 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 571892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).