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

C17H20N6O2 — CID 70762720

IUPAC2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESCCn1c(-c2ccccc2)nn(CC(=O)NCCc2cnc[nH]2)c1=O
InChIInChI=1S/C17H20N6O2/c1-2-22-16(13-6-4-3-5-7-13)21-23(17(22)25)11-15(24)19-9-8-14-10-18-12-20-14/h3-7,10,12H,2,8-9,11H2,1H3,(H,18,20)(H,19,24)
InChIKeyYZAZGGQZZRZEEH-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.81
Rot. Bonds7

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

2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 70762720) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
PubChem CID70762720
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESCCn1c(-c2ccccc2)nn(CC(=O)NCCc2cnc[nH]2)c1=O
InChIInChI=1S/C17H20N6O2/c1-2-22-16(13-6-4-3-5-7-13)21-23(17(22)25)11-15(24)19-9-8-14-10-18-12-20-14/h3-7,10,12H,2,8-9,11H2,1H3,(H,18,20)(H,19,24)
InChIKeyYZAZGGQZZRZEEH-UHFFFAOYSA-N
XLogP0.81
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CID 70762720) is 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is CCn1c(-c2ccccc2)nn(CC(=O)NCCc2cnc[nH]2)c1=O.
What is the InChIKey of 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is YZAZGGQZZRZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-22-16(13-6-4-3-5-7-13)21-23(17(22)25)11-15(24)19-9-8-14-10-18-12-20-14/h3-7,10,12H,2,8-9,11H2,1H3,(H,18,20)(H,19,24).
What are the key properties of 2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-[2-(1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 70762720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).