1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid

C10H13N5O4 — CID 66288927

IUPAC1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C10H13N5O4/c1-6-9(17)11-2-3-15(6)8(16)5-14-4-7(10(18)19)12-13-14/h4,6H,2-3,5H2,1H3,(H,11,17)(H,18,19)
InChIKeyLOQJMOFHTKHSEG-UHFFFAOYSA-N
MW267.25 g/mol
LogP-1.68
Rot. Bonds3

About 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid

1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 66288927) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID66288927
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)Cn1cc(C(=O)O)nn1
InChIInChI=1S/C10H13N5O4/c1-6-9(17)11-2-3-15(6)8(16)5-14-4-7(10(18)19)12-13-14/h4,6H,2-3,5H2,1H3,(H,11,17)(H,18,19)
InChIKeyLOQJMOFHTKHSEG-UHFFFAOYSA-N
XLogP-1.68
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid (CID 66288927) is 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid is CC1C(=O)NCCN1C(=O)Cn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is LOQJMOFHTKHSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-6-9(17)11-2-3-15(6)8(16)5-14-4-7(10(18)19)12-13-14/h4,6H,2-3,5H2,1H3,(H,11,17)(H,18,19).
What are the key properties of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid?
1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of -1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 66288927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).