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

C15H20F3N5O — CID 16621478

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCC(C)C
InChIInChI=1S/C15H20F3N5O/c1-8(2)5-6-19-12(24)7-11-9(3)20-14-21-13(15(16,17)18)22-23(14)10(11)4/h8H,5-7H2,1-4H3,(H,19,24)
InChIKeyYRZGBYDSLRTARN-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.46
Rot. Bonds5

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

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide (PubChem CID 16621478) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide
PubChem CID16621478
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCC(C)C
InChIInChI=1S/C15H20F3N5O/c1-8(2)5-6-19-12(24)7-11-9(3)20-14-21-13(15(16,17)18)22-23(14)10(11)4/h8H,5-7H2,1-4H3,(H,19,24)
InChIKeyYRZGBYDSLRTARN-UHFFFAOYSA-N
XLogP2.46
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.46
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-(3-methylbutyl)acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide (CID 16621478) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCC(C)C.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is YRZGBYDSLRTARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-8(2)5-6-19-12(24)7-11-9(3)20-14-21-13(15(16,17)18)22-23(14)10(11)4/h8H,5-7H2,1-4H3,(H,19,24).
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.46, 5 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 16621478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).