4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C17H12F7N3 — CID 571891

IUPAC4-(4-fluorophenyl)-6,8-dimethyl-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(c3ccc(F)cc3)N2C(C)=C1
InChIInChI=1S/C17H12F7N3/c1-9-7-10(2)27-13(8-9)25-15(16(19,20)21,17(22,23)24)26-14(27)11-3-5-12(18)6-4-11/h3-8H,1-2H3
InChIKeyLOOXVKCINBGWBW-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.97
Rot. Bonds1

About 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 571891) has the molecular formula C17H12F7N3 and a molecular weight of 391.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID571891
Molecular FormulaC17H12F7N3
Molecular Weight391.29 g/mol
Exact Mass391.09
IUPAC Name4-(4-fluorophenyl)-6,8-dimethyl-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(c3ccc(F)cc3)N2C(C)=C1
InChIInChI=1S/C17H12F7N3/c1-9-7-10(2)27-13(8-9)25-15(16(19,20)21,17(22,23)24)26-14(27)11-3-5-12(18)6-4-11/h3-8H,1-2H3
InChIKeyLOOXVKCINBGWBW-UHFFFAOYSA-N
XLogP4.97
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 571891) is 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-(4-fluorophenyl)-6,8-dimethyl-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(c3ccc(F)cc3)N2C(C)=C1.
What is the InChIKey of 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is LOOXVKCINBGWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F7N3/c1-9-7-10(2)27-13(8-9)25-15(16(19,20)21,17(22,23)24)26-14(27)11-3-5-12(18)6-4-11/h3-8H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 391.29 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6,8-dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 571891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).