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

C16H11F6N3 — CID 556114

IUPAC4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21
InChIInChI=1S/C16H11F6N3/c1-10-6-2-3-7-11(10)13-24-14(15(17,18)19,16(20,21)22)23-12-8-4-5-9-25(12)13/h2-9H,1H3
InChIKeyFOXLJZUTGOIWQW-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.36
Rot. Bonds1

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

4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 556114) has the molecular formula C16H11F6N3 and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID556114
Molecular FormulaC16H11F6N3
Molecular Weight359.27 g/mol
Exact Mass359.09
IUPAC Name4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21
InChIInChI=1S/C16H11F6N3/c1-10-6-2-3-7-11(10)13-24-14(15(17,18)19,16(20,21)22)23-12-8-4-5-9-25(12)13/h2-9H,1H3
InChIKeyFOXLJZUTGOIWQW-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 556114) is 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21.
What is the InChIKey of 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is FOXLJZUTGOIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3/c1-10-6-2-3-7-11(10)13-24-14(15(17,18)19,16(20,21)22)23-12-8-4-5-9-25(12)13/h2-9H,1H3.
What are the key properties of 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 359.27 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 556114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).