2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide

C12H9N5O3 — CID 830814

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nn1cnnc1
InChIInChI=1S/C12H9N5O3/c18-10(15-16-6-13-14-7-16)5-17-11(19)8-3-1-2-4-9(8)12(17)20/h1-4,6-7H,5H2,(H,15,18)
InChIKeyRPPCAVIUBJYFRB-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.36
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 830814) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID830814
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nn1cnnc1
InChIInChI=1S/C12H9N5O3/c18-10(15-16-6-13-14-7-16)5-17-11(19)8-3-1-2-4-9(8)12(17)20/h1-4,6-7H,5H2,(H,15,18)
InChIKeyRPPCAVIUBJYFRB-UHFFFAOYSA-N
XLogP-0.36
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide
CID 845890
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
ethyl N-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamate
CID 594911
4-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamoyl]benzoic acid
CID 21108836
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 23991813
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide (CID 830814) is 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nn1cnnc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is RPPCAVIUBJYFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c18-10(15-16-6-13-14-7-16)5-17-11(19)8-3-1-2-4-9(8)12(17)20/h1-4,6-7H,5H2,(H,15,18).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 271.24 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 830814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).