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

C11H18N6O2S — CID 61468039

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCC(=O)N1CCN(C(=O)CSc2nnc(N)n2C)CC1
InChIInChI=1S/C11H18N6O2S/c1-8(18)16-3-5-17(6-4-16)9(19)7-20-11-14-13-10(12)15(11)2/h3-7H2,1-2H3,(H2,12,13)
InChIKeyRVRXBOVSOUTTPD-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.82
Rot. Bonds3

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

1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 61468039) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID61468039
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCC(=O)N1CCN(C(=O)CSc2nnc(N)n2C)CC1
InChIInChI=1S/C11H18N6O2S/c1-8(18)16-3-5-17(6-4-16)9(19)7-20-11-14-13-10(12)15(11)2/h3-7H2,1-2H3,(H2,12,13)
InChIKeyRVRXBOVSOUTTPD-UHFFFAOYSA-N
XLogP-0.82
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone with MolForge

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Related Compounds

1-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
CID 62657239
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 55029412
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 60733571
1-(4-acetylpiperazin-1-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17450663
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperazin-1-ylpropan-1-one
CID 62545046
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 47158239
N'-acetyl-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 61468986
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide
CID 9373158
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 60733718
2-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-methyl-1,2-oxazol-3-one
CID 54955504
2-amino-3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 65442021
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-ethylacetamide
CID 54955097

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 61468039) is 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is CC(=O)N1CCN(C(=O)CSc2nnc(N)n2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is RVRXBOVSOUTTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8(18)16-3-5-17(6-4-16)9(19)7-20-11-14-13-10(12)15(11)2/h3-7H2,1-2H3,(H2,12,13).
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 298.37 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 61468039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).