2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone

C14H16F3N5O2 — CID 16621173

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C14H16F3N5O2/c1-8-10(7-11(23)21-3-5-24-6-4-21)9(2)22-13(18-8)19-12(20-22)14(15,16)17/h3-7H2,1-2H3
InChIKeyQXWLLANZSPJAEU-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.16
Rot. Bonds2

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone (PubChem CID 16621173) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone
PubChem CID16621173
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C14H16F3N5O2/c1-8-10(7-11(23)21-3-5-24-6-4-21)9(2)22-13(18-8)19-12(20-22)14(15,16)17/h3-7H2,1-2H3
InChIKeyQXWLLANZSPJAEU-UHFFFAOYSA-N
XLogP1.16
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone (CID 16621173) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone?
The InChIKey is QXWLLANZSPJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-8-10(7-11(23)21-3-5-24-6-4-21)9(2)22-13(18-8)19-12(20-22)14(15,16)17/h3-7H2,1-2H3.
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone has a molecular weight of 343.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 16621173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).