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

C13H11N5O3 — CID 2893215

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H11N5O3/c1-8(11(19)16-17-6-14-15-7-17)18-12(20)9-4-2-3-5-10(9)13(18)21/h2-8H,1H3,(H,16,19)
InChIKeyDPHWRSZGLGDEGA-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.03
Rot. Bonds3

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

2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 2893215) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID2893215
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide
SMILESCC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H11N5O3/c1-8(11(19)16-17-6-14-15-7-17)18-12(20)9-4-2-3-5-10(9)13(18)21/h2-8H,1H3,(H,16,19)
InChIKeyDPHWRSZGLGDEGA-UHFFFAOYSA-N
XLogP0.03
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
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 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide (CID 2893215) is 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide is CC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is DPHWRSZGLGDEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-8(11(19)16-17-6-14-15-7-17)18-12(20)9-4-2-3-5-10(9)13(18)21/h2-8H,1H3,(H,16,19).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 285.26 g/mol, XLogP of 0.03, 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)propanamide is sourced from PubChem (CID 2893215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).