6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one

C9H6F3N3O — CID 888621

IUPAC6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1cccc2nc(C(F)(F)F)nc(=O)n12
InChIInChI=1S/C9H6F3N3O/c1-5-3-2-4-6-13-7(9(10,11)12)14-8(16)15(5)6/h2-4H,1H3
InChIKeyKQYVMPPNIQKPGN-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.42
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one

6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 888621) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID888621
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1cccc2nc(C(F)(F)F)nc(=O)n12
InChIInChI=1S/C9H6F3N3O/c1-5-3-2-4-6-13-7(9(10,11)12)14-8(16)15(5)6/h2-4H,1H3
InChIKeyKQYVMPPNIQKPGN-UHFFFAOYSA-N
XLogP1.42
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one (CID 888621) is 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one is Cc1cccc2nc(C(F)(F)F)nc(=O)n12.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is KQYVMPPNIQKPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-5-3-2-4-6-13-7(9(10,11)12)14-8(16)15(5)6/h2-4H,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one?
6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 229.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 888621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).