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

C11H12F3N5O — CID 47279011

IUPAC2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCC1CN(c2cc(C(F)(F)F)nc3ncnn23)CCO1
InChIInChI=1S/C11H12F3N5O/c1-7-5-18(2-3-20-7)9-4-8(11(12,13)14)17-10-15-6-16-19(9)10/h4,6-7H,2-3,5H2,1H3
InChIKeyGBJWQXUGIFZEQQ-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.37
Rot. Bonds1

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

2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 47279011) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID47279011
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCC1CN(c2cc(C(F)(F)F)nc3ncnn23)CCO1
InChIInChI=1S/C11H12F3N5O/c1-7-5-18(2-3-20-7)9-4-8(11(12,13)14)17-10-15-6-16-19(9)10/h4,6-7H,2-3,5H2,1H3
InChIKeyGBJWQXUGIFZEQQ-UHFFFAOYSA-N
XLogP1.37
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 47279011) is 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is CC1CN(c2cc(C(F)(F)F)nc3ncnn23)CCO1.
What is the InChIKey of 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is GBJWQXUGIFZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-7-5-18(2-3-20-7)9-4-8(11(12,13)14)17-10-15-6-16-19(9)10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 287.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 47279011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).