1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid

C11H15N5O4 — CID 103255513

IUPAC1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN1C(=O)CCC(NCCn2cc(C(=O)O)nn2)C1=O
InChIInChI=1S/C11H15N5O4/c1-15-9(17)3-2-7(10(15)18)12-4-5-16-6-8(11(19)20)13-14-16/h6-7,12H,2-5H2,1H3,(H,19,20)
InChIKeyHNAOKOUADUVKPN-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.29
Rot. Bonds5

About 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 103255513) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID103255513
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCN1C(=O)CCC(NCCn2cc(C(=O)O)nn2)C1=O
InChIInChI=1S/C11H15N5O4/c1-15-9(17)3-2-7(10(15)18)12-4-5-16-6-8(11(19)20)13-14-16/h6-7,12H,2-5H2,1H3,(H,19,20)
InChIKeyHNAOKOUADUVKPN-UHFFFAOYSA-N
XLogP-1.29
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid (CID 103255513) is 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid is CN1C(=O)CCC(NCCn2cc(C(=O)O)nn2)C1=O.
What is the InChIKey of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is HNAOKOUADUVKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-15-9(17)3-2-7(10(15)18)12-4-5-16-6-8(11(19)20)13-14-16/h6-7,12H,2-5H2,1H3,(H,19,20).
What are the key properties of 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103255513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).