8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C16H11F6N3 — CID 4160475

IUPAC8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N2C=C1
InChIInChI=1S/C16H11F6N3/c1-10-7-8-25-12(9-10)23-14(15(17,18)19,16(20,21)22)24-13(25)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUEUUPAJIHUBYJQ-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.44
Rot. Bonds1

About 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 4160475) has the molecular formula C16H11F6N3 and a molecular weight of 359.27 g/mol. Its IUPAC name is 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID4160475
Molecular FormulaC16H11F6N3
Molecular Weight359.27 g/mol
Exact Mass359.09
IUPAC Name8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N2C=C1
InChIInChI=1S/C16H11F6N3/c1-10-7-8-25-12(9-10)23-14(15(17,18)19,16(20,21)22)24-13(25)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUEUUPAJIHUBYJQ-UHFFFAOYSA-N
XLogP4.44
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 4160475) is 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N2C=C1.
What is the InChIKey of 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is UEUUPAJIHUBYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3/c1-10-7-8-25-12(9-10)23-14(15(17,18)19,16(20,21)22)24-13(25)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 359.27 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-phenyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 4160475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).