4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C16H10F7N3 — CID 564217

IUPAC4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccc(F)cc2)C=C1
InChIInChI=1S/C16H10F7N3/c1-9-2-7-12-24-14(15(18,19)20,16(21,22)23)25-13(26(12)8-9)10-3-5-11(17)6-4-10/h2-8H,1H3
InChIKeyHMRIVVZUQRKUAU-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.58
Rot. Bonds1

About 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 564217) has the molecular formula C16H10F7N3 and a molecular weight of 377.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID564217
Molecular FormulaC16H10F7N3
Molecular Weight377.26 g/mol
Exact Mass377.08
IUPAC Name4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESCC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccc(F)cc2)C=C1
InChIInChI=1S/C16H10F7N3/c1-9-2-7-12-24-14(15(18,19)20,16(21,22)23)25-13(26(12)8-9)10-3-5-11(17)6-4-10/h2-8H,1H3
InChIKeyHMRIVVZUQRKUAU-UHFFFAOYSA-N
XLogP4.58
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 564217) is 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is CC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccc(F)cc2)C=C1.
What is the InChIKey of 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is HMRIVVZUQRKUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F7N3/c1-9-2-7-12-24-14(15(18,19)20,16(21,22)23)25-13(26(12)8-9)10-3-5-11(17)6-4-10/h2-8H,1H3.
What are the key properties of 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 377.26 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 564217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).