2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C17H24N6O — CID 131930825

IUPAC2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1
InChIInChI=1S/C17H24N6O/c1-3-22-8-10-23(11-9-22)12-16(24)19-15-6-4-14(5-7-15)17-18-13(2)20-21-17/h4-7H,3,8-12H2,1-2H3,(H,19,24)(H,18,20,21)
InChIKeyABYOFZGJHHGZKE-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.36
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 131930825) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID131930825
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1
InChIInChI=1S/C17H24N6O/c1-3-22-8-10-23(11-9-22)12-16(24)19-15-6-4-14(5-7-15)17-18-13(2)20-21-17/h4-7H,3,8-12H2,1-2H3,(H,19,24)(H,18,20,21)
InChIKeyABYOFZGJHHGZKE-UHFFFAOYSA-N
XLogP1.36
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylazetidin-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
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3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
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1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
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CID 119311512
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
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N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 17477048
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 122140644
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 131930825) is 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is CCN1CCN(CC(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is ABYOFZGJHHGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-22-8-10-23(11-9-22)12-16(24)19-15-6-4-14(5-7-15)17-18-13(2)20-21-17/h4-7H,3,8-12H2,1-2H3,(H,19,24)(H,18,20,21).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 131930825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).