N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide

C9H11N5O3 — CID 113276448

IUPACN-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide
SMILESO=C1CCC(NC(=O)Cn2ccnn2)C(=O)N1
InChIInChI=1S/C9H11N5O3/c15-7-2-1-6(9(17)12-7)11-8(16)5-14-4-3-10-13-14/h3-4,6H,1-2,5H2,(H,11,16)(H,12,15,17)
InChIKeyNTZUDFCTYPAUKH-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.80
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide

N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide (PubChem CID 113276448) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide
PubChem CID113276448
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide
SMILESO=C1CCC(NC(=O)Cn2ccnn2)C(=O)N1
InChIInChI=1S/C9H11N5O3/c15-7-2-1-6(9(17)12-7)11-8(16)5-14-4-3-10-13-14/h3-4,6H,1-2,5H2,(H,11,16)(H,12,15,17)
InChIKeyNTZUDFCTYPAUKH-UHFFFAOYSA-N
XLogP-1.80
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide (CID 113276448) is N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide is O=C1CCC(NC(=O)Cn2ccnn2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide?
The InChIKey is NTZUDFCTYPAUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c15-7-2-1-6(9(17)12-7)11-8(16)5-14-4-3-10-13-14/h3-4,6H,1-2,5H2,(H,11,16)(H,12,15,17).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide?
N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide has a molecular weight of 237.22 g/mol, XLogP of -1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 113276448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).