2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide

C18H23N7O2 — CID 70747889

IUPAC2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1ncnc1C(C)NC(=O)Cn1nc(-c2ccccc2)n(CC)c1=O
InChIInChI=1S/C18H23N7O2/c1-4-23-17(14-9-7-6-8-10-14)22-25(18(23)27)11-15(26)21-13(3)16-19-12-20-24(16)5-2/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,26)
InChIKeyPQOOIPYIJIULOG-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.22
Rot. Bonds7

About 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 70747889) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID70747889
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1ncnc1C(C)NC(=O)Cn1nc(-c2ccccc2)n(CC)c1=O
InChIInChI=1S/C18H23N7O2/c1-4-23-17(14-9-7-6-8-10-14)22-25(18(23)27)11-15(26)21-13(3)16-19-12-20-24(16)5-2/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,26)
InChIKeyPQOOIPYIJIULOG-UHFFFAOYSA-N
XLogP1.22
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 70747889) is 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCn1ncnc1C(C)NC(=O)Cn1nc(-c2ccccc2)n(CC)c1=O.
What is the InChIKey of 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is PQOOIPYIJIULOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-4-23-17(14-9-7-6-8-10-14)22-25(18(23)27)11-15(26)21-13(3)16-19-12-20-24(16)5-2/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,26).
What are the key properties of 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 70747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).