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

C15H16F3N7O — CID 133281913

IUPAC4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1cc(N2CCOC(Cn3cccn3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H16F3N7O/c1-10-7-12(25-14(20-10)21-13(22-25)15(16,17)18)23-5-6-26-11(8-23)9-24-4-2-3-19-24/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyJADYBKMGKRKGLN-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.55
Rot. Bonds3

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

4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 133281913) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID133281913
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESCc1cc(N2CCOC(Cn3cccn3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H16F3N7O/c1-10-7-12(25-14(20-10)21-13(22-25)15(16,17)18)23-5-6-26-11(8-23)9-24-4-2-3-19-24/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyJADYBKMGKRKGLN-UHFFFAOYSA-N
XLogP1.55
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine (CID 133281913) is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine is Cc1cc(N2CCOC(Cn3cccn3)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-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is JADYBKMGKRKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-10-7-12(25-14(20-10)21-13(22-25)15(16,17)18)23-5-6-26-11(8-23)9-24-4-2-3-19-24/h2-4,7,11H,5-6,8-9H2,1H3.
What are the key properties of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine?
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 367.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 133281913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).