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

C17H13F6N3 — CID 4123858

IUPAC6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(C)cc3)N12
InChIInChI=1S/C17H13F6N3/c1-10-6-8-12(9-7-10)14-25-15(16(18,19)20,17(21,22)23)24-13-5-3-4-11(2)26(13)14/h3-9H,1-2H3
InChIKeyLUYXSAXCGUDZAZ-UHFFFAOYSA-N
MW373.30 g/mol
LogP4.75
Rot. Bonds1

About 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 4123858) has the molecular formula C17H13F6N3 and a molecular weight of 373.30 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID4123858
Molecular FormulaC17H13F6N3
Molecular Weight373.30 g/mol
Exact Mass373.10
IUPAC Name6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(C)cc3)N12
InChIInChI=1S/C17H13F6N3/c1-10-6-8-12(9-7-10)14-25-15(16(18,19)20,17(21,22)23)24-13-5-3-4-11(2)26(13)14/h3-9H,1-2H3
InChIKeyLUYXSAXCGUDZAZ-UHFFFAOYSA-N
XLogP4.75
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 4123858) is 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(C)cc3)N12.
What is the InChIKey of 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is LUYXSAXCGUDZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3/c1-10-6-8-12(9-7-10)14-25-15(16(18,19)20,17(21,22)23)24-13-5-3-4-11(2)26(13)14/h3-9H,1-2H3.
What are the key properties of 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 373.30 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 4123858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).