4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C11H9F6N3 — CID 5147575

IUPAC4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC=CN2C(C)=NC(C(F)(F)F)(C(F)(F)F)N=C12
InChIInChI=1S/C11H9F6N3/c1-6-4-3-5-20-7(2)18-9(10(12,13)14,11(15,16)17)19-8(6)20/h3-5H,1-2H3
InChIKeyWVCLBEUWWXTVLP-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.41
Rot. Bonds

About 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 5147575) has the molecular formula C11H9F6N3 and a molecular weight of 297.20 g/mol. Its IUPAC name is 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID5147575
Molecular FormulaC11H9F6N3
Molecular Weight297.20 g/mol
Exact Mass297.07
IUPAC Name4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC=CN2C(C)=NC(C(F)(F)F)(C(F)(F)F)N=C12
InChIInChI=1S/C11H9F6N3/c1-6-4-3-5-20-7(2)18-9(10(12,13)14,11(15,16)17)19-8(6)20/h3-5H,1-2H3
InChIKeyWVCLBEUWWXTVLP-UHFFFAOYSA-N
XLogP3.41
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 5147575) is 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=CC=CN2C(C)=NC(C(F)(F)F)(C(F)(F)F)N=C12.
What is the InChIKey of 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is WVCLBEUWWXTVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N3/c1-6-4-3-5-20-7(2)18-9(10(12,13)14,11(15,16)17)19-8(6)20/h3-5H,1-2H3.
What are the key properties of 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 297.20 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 5147575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).