2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H13F3N6O2 — CID 31861295

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1
InChIInChI=1S/C14H13F3N6O2/c1-6-4-10(22-25-6)19-11(24)5-9-7(2)18-13-20-12(14(15,16)17)21-23(13)8(9)3/h4H,5H2,1-3H3,(H,19,22,24)
InChIKeyUMQHFHGLIHMGRN-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.24
Rot. Bonds3

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 31861295) has the molecular formula C14H13F3N6O2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID31861295
Molecular FormulaC14H13F3N6O2
Molecular Weight354.29 g/mol
Exact Mass354.11
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1
InChIInChI=1S/C14H13F3N6O2/c1-6-4-10(22-25-6)19-11(24)5-9-7(2)18-13-20-12(14(15,16)17)21-23(13)8(9)3/h4H,5H2,1-3H3,(H,19,22,24)
InChIKeyUMQHFHGLIHMGRN-UHFFFAOYSA-N
XLogP2.24
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 31861295) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UMQHFHGLIHMGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O2/c1-6-4-10(22-25-6)19-11(24)5-9-7(2)18-13-20-12(14(15,16)17)21-23(13)8(9)3/h4H,5H2,1-3H3,(H,19,22,24).
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 31861295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).