2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide

C13H16F3N5O — CID 16620861

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC(C)C
InChIInChI=1S/C13H16F3N5O/c1-6(2)17-10(22)5-9-7(3)18-12-19-11(13(14,15)16)20-21(12)8(9)4/h6H,5H2,1-4H3,(H,17,22)
InChIKeyHOBLPKDGBRVLKB-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.83
Rot. Bonds3

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide (PubChem CID 16620861) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide
PubChem CID16620861
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC(C)C
InChIInChI=1S/C13H16F3N5O/c1-6(2)17-10(22)5-9-7(3)18-12-19-11(13(14,15)16)20-21(12)8(9)4/h6H,5H2,1-4H3,(H,17,22)
InChIKeyHOBLPKDGBRVLKB-UHFFFAOYSA-N
XLogP1.83
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propan-2-ylacetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide (CID 16620861) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC(C)C.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide?
The InChIKey is HOBLPKDGBRVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-6(2)17-10(22)5-9-7(3)18-12-19-11(13(14,15)16)20-21(12)8(9)4/h6H,5H2,1-4H3,(H,17,22).
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylacetamide has a molecular weight of 315.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-propan-2-ylacetamide is sourced from PubChem (CID 16620861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).