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

C13H11N5O3 — CID 2324609

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nn1cnnc1
InChIInChI=1S/C13H11N5O3/c19-11(16-17-7-14-15-8-17)5-6-18-12(20)9-3-1-2-4-10(9)13(18)21/h1-4,7-8H,5-6H2,(H,16,19)
InChIKeyJVVWWWVPPAQTDD-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.03
Rot. Bonds4

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

3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide (PubChem CID 2324609) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide
PubChem CID2324609
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nn1cnnc1
InChIInChI=1S/C13H11N5O3/c19-11(16-17-7-14-15-8-17)5-6-18-12(20)9-3-1-2-4-10(9)13(18)21/h1-4,7-8H,5-6H2,(H,16,19)
InChIKeyJVVWWWVPPAQTDD-UHFFFAOYSA-N
XLogP0.03
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide (CID 2324609) is 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nn1cnnc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is JVVWWWVPPAQTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c19-11(16-17-7-14-15-8-17)5-6-18-12(20)9-3-1-2-4-10(9)13(18)21/h1-4,7-8H,5-6H2,(H,16,19).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide?
3-(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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 2324609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).