4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one

C9H14N6O2 — CID 63594537

IUPAC4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H14N6O2/c1-6-8(17)11-2-3-15(6)7(16)4-14-5-12-9(10)13-14/h5-6H,2-4H2,1H3,(H2,10,13)(H,11,17)
InChIKeyBWDUVDLUEPFOCF-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.79
Rot. Bonds2

About 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one

4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one (PubChem CID 63594537) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
PubChem CID63594537
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H14N6O2/c1-6-8(17)11-2-3-15(6)7(16)4-14-5-12-9(10)13-14/h5-6H,2-4H2,1H3,(H2,10,13)(H,11,17)
InChIKeyBWDUVDLUEPFOCF-UHFFFAOYSA-N
XLogP-1.79
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288927
4-[2-(4-aminopiperidin-1-yl)acetyl]-3-methylpiperazin-2-one
CID 79328041
3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63606730
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66069435
3-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 55219544
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882210
4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63595747
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
3-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 55219396
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
(3S)-3-methyl-4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-2-one
CID 154770775

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one (CID 63594537) is 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)Cn1cnc(N)n1.
What is the InChIKey of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one?
The InChIKey is BWDUVDLUEPFOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-6-8(17)11-2-3-15(6)7(16)4-14-5-12-9(10)13-14/h5-6H,2-4H2,1H3,(H2,10,13)(H,11,17).
What are the key properties of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one?
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one has a molecular weight of 238.25 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).