1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone

C10H16N6O2 — CID 54901753

IUPAC1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C10H16N6O2/c1-8(17)14-2-4-15(5-3-14)9(18)6-16-7-12-10(11)13-16/h7H,2-6H2,1H3,(H2,11,13)
InChIKeyPMZZZEVKFGJSKW-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.45
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone (PubChem CID 54901753) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone
PubChem CID54901753
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C10H16N6O2/c1-8(17)14-2-4-15(5-3-14)9(18)6-16-7-12-10(11)13-16/h7H,2-6H2,1H3,(H2,11,13)
InChIKeyPMZZZEVKFGJSKW-UHFFFAOYSA-N
XLogP-1.45
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone (CID 54901753) is 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone is CC(=O)N1CCN(C(=O)Cn2cnc(N)n2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone?
The InChIKey is PMZZZEVKFGJSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-8(17)14-2-4-15(5-3-14)9(18)6-16-7-12-10(11)13-16/h7H,2-6H2,1H3,(H2,11,13).
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone has a molecular weight of 252.28 g/mol, XLogP of -1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(3-amino-1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 54901753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).