1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

C10H16N6O2S — CID 8010319

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCC(=O)N1CCN(C(=O)CSc2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H16N6O2S/c1-7(17)15-2-4-16(5-3-15)8(18)6-19-10-12-9(11)13-14-10/h2-6H2,1H3,(H3,11,12,13,14)
InChIKeyIXAXNGVIWNYGRX-UHFFFAOYSA-N
MW284.35 g/mol
LogP-0.83
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 8010319) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID8010319
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCC(=O)N1CCN(C(=O)CSc2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H16N6O2S/c1-7(17)15-2-4-16(5-3-15)8(18)6-19-10-12-9(11)13-14-10/h2-6H2,1H3,(H3,11,12,13,14)
InChIKeyIXAXNGVIWNYGRX-UHFFFAOYSA-N
XLogP-0.83
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 8010319) is 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is CC(=O)N1CCN(C(=O)CSc2n[nH]c(N)n2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is IXAXNGVIWNYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-7(17)15-2-4-16(5-3-15)8(18)6-19-10-12-9(11)13-14-10/h2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 284.35 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 8010319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).