2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide

C17H19N5O2 — CID 6473417

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H19N5O2/c1-4-24-14-8-6-5-7-13(14)19-16(23)10-15-20-17-18-11(2)9-12(3)22(17)21-15/h5-9H,4,10H2,1-3H3,(H,19,23)
InChIKeyLANUEXHUWCYNKZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.32
Rot. Bonds5

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 6473417) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID6473417
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C17H19N5O2/c1-4-24-14-8-6-5-7-13(14)19-16(23)10-15-20-17-18-11(2)9-12(3)22(17)21-15/h5-9H,4,10H2,1-3H3,(H,19,23)
InChIKeyLANUEXHUWCYNKZ-UHFFFAOYSA-N
XLogP2.32
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide (CID 6473417) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is LANUEXHUWCYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-24-14-8-6-5-7-13(14)19-16(23)10-15-20-17-18-11(2)9-12(3)22(17)21-15/h5-9H,4,10H2,1-3H3,(H,19,23).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 6473417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).