2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide

C11H12F3N5O — CID 154222028

IUPAC2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide
SMILESCCCc1nc(C)cc2nc(NC(=O)C(F)(F)F)nn12
InChIInChI=1S/C11H12F3N5O/c1-3-4-7-15-6(2)5-8-16-10(18-19(7)8)17-9(20)11(12,13)14/h5H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyVYMWOMJRUZJGQX-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.89
Rot. Bonds3

About 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide

2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide (PubChem CID 154222028) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide
PubChem CID154222028
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide
SMILESCCCc1nc(C)cc2nc(NC(=O)C(F)(F)F)nn12
InChIInChI=1S/C11H12F3N5O/c1-3-4-7-15-6(2)5-8-16-10(18-19(7)8)17-9(20)11(12,13)14/h5H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyVYMWOMJRUZJGQX-UHFFFAOYSA-N
XLogP1.89
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide (CID 154222028) is 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide is CCCc1nc(C)cc2nc(NC(=O)C(F)(F)F)nn12.
What is the InChIKey of 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide?
The InChIKey is VYMWOMJRUZJGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-3-4-7-15-6(2)5-8-16-10(18-19(7)8)17-9(20)11(12,13)14/h5H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide?
2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide has a molecular weight of 287.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 154222028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).