N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide

C18H13N5O3 — CID 898295

IUPACN-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1nc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H13N5O3/c1-11(24)19-17-20-18(23(21-17)12-7-3-2-4-8-12)22-15(25)13-9-5-6-10-14(13)16(22)26/h2-10H,1H3,(H,19,21,24)
InChIKeyRPXIIMRZGWGKAT-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.03
Rot. Bonds3

About N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide

N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 898295) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide
PubChem CID898295
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC NameN-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1nc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H13N5O3/c1-11(24)19-17-20-18(23(21-17)12-7-3-2-4-8-12)22-15(25)13-9-5-6-10-14(13)16(22)26/h2-10H,1H3,(H,19,21,24)
InChIKeyRPXIIMRZGWGKAT-UHFFFAOYSA-N
XLogP2.03
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide (CID 898295) is N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide is CC(=O)Nc1nc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1.
What is the InChIKey of N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is RPXIIMRZGWGKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c1-11(24)19-17-20-18(23(21-17)12-7-3-2-4-8-12)22-15(25)13-9-5-6-10-14(13)16(22)26/h2-10H,1H3,(H,19,21,24).
What are the key properties of N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide?
N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 347.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 898295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).