2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

C13H16F3N5O — CID 48631579

IUPAC2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCC1CN(c2cc(C(F)(F)F)nc3ncnn23)CC(C)(C)O1
InChIInChI=1S/C13H16F3N5O/c1-8-5-20(6-12(2,3)22-8)10-4-9(13(14,15)16)19-11-17-7-18-21(10)11/h4,7-8H,5-6H2,1-3H3
InChIKeyWYVJQHOMWRNOAO-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.15
Rot. Bonds1

About 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 48631579) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID48631579
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCC1CN(c2cc(C(F)(F)F)nc3ncnn23)CC(C)(C)O1
InChIInChI=1S/C13H16F3N5O/c1-8-5-20(6-12(2,3)22-8)10-4-9(13(14,15)16)19-11-17-7-18-21(10)11/h4,7-8H,5-6H2,1-3H3
InChIKeyWYVJQHOMWRNOAO-UHFFFAOYSA-N
XLogP2.15
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 48631579) is 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is CC1CN(c2cc(C(F)(F)F)nc3ncnn23)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is WYVJQHOMWRNOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-8-5-20(6-12(2,3)22-8)10-4-9(13(14,15)16)19-11-17-7-18-21(10)11/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine?
2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 315.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 48631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).