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

C13H16F3N5O — CID 16621129

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C13H16F3N5O/c1-4-5-17-10(22)6-9-7(2)18-12-19-11(13(14,15)16)20-21(12)8(9)3/h4-6H2,1-3H3,(H,17,22)
InChIKeyUZXKMPGVADLCPG-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.83
Rot. Bonds4

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

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide (PubChem CID 16621129) 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-propylacetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide
PubChem CID16621129
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-propylacetamide
SMILESCCCNC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C13H16F3N5O/c1-4-5-17-10(22)6-9-7(2)18-12-19-11(13(14,15)16)20-21(12)8(9)3/h4-6H2,1-3H3,(H,17,22)
InChIKeyUZXKMPGVADLCPG-UHFFFAOYSA-N
XLogP1.83
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-propylacetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide (CID 16621129) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide is CCCNC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide?
The InChIKey is UZXKMPGVADLCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-4-5-17-10(22)6-9-7(2)18-12-19-11(13(14,15)16)20-21(12)8(9)3/h4-6H2,1-3H3,(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-propylacetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-propylacetamide has a molecular weight of 315.30 g/mol, XLogP of 1.83, 4 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-propylacetamide is sourced from PubChem (CID 16621129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).