4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine

C18H15F6N5O — CID 133449954

IUPAC4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H15F6N5O/c1-10-8-14(29-16(25-10)26-15(27-29)18(22,23)24)28-6-7-30-13(9-28)11-2-4-12(5-3-11)17(19,20)21/h2-5,8,13H,6-7,9H2,1H3
InChIKeyFBUATLHVZDODIE-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.05
Rot. Bonds2

About 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine

4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449954) has the molecular formula C18H15F6N5O and a molecular weight of 431.34 g/mol. Its IUPAC name is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449954
Molecular FormulaC18H15F6N5O
Molecular Weight431.34 g/mol
Exact Mass431.12
IUPAC Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H15F6N5O/c1-10-8-14(29-16(25-10)26-15(27-29)18(22,23)24)28-6-7-30-13(9-28)11-2-4-12(5-3-11)17(19,20)21/h2-5,8,13H,6-7,9H2,1H3
InChIKeyFBUATLHVZDODIE-UHFFFAOYSA-N
XLogP4.05
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine
CID 133363756
N,N-dimethyl-1-[(2S)-4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl]methanamine
CID 95314791
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
2-(4-bromophenyl)-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 133274491
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
N-cyclopropyl-1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-amine
CID 133381228
7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126825743
5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4907583
7-[(3S)-3-ethoxypiperidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95138372
5-methyl-2-(trifluoromethyl)-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133450935
7-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133292110

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449954) is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine is Cc1cc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is FBUATLHVZDODIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O/c1-10-8-14(29-16(25-10)26-15(27-29)18(22,23)24)28-6-7-30-13(9-28)11-2-4-12(5-3-11)17(19,20)21/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine?
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 431.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).