2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione

C19H11N5O2 — CID 753354

IUPAC2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nc2nccc(-c3ccccc3)n2n1
InChIInChI=1S/C19H11N5O2/c25-16-13-8-4-5-9-14(13)17(26)23(16)19-21-18-20-11-10-15(24(18)22-19)12-6-2-1-3-7-12/h1-11H
InChIKeyUCGCUMYEUDKRMT-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.59
Rot. Bonds2

About 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione

2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione (PubChem CID 753354) has the molecular formula C19H11N5O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione
PubChem CID753354
Molecular FormulaC19H11N5O2
Molecular Weight341.33 g/mol
Exact Mass341.09
IUPAC Name2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nc2nccc(-c3ccccc3)n2n1
InChIInChI=1S/C19H11N5O2/c25-16-13-8-4-5-9-14(13)17(26)23(16)19-21-18-20-11-10-15(24(18)22-19)12-6-2-1-3-7-12/h1-11H
InChIKeyUCGCUMYEUDKRMT-UHFFFAOYSA-N
XLogP2.59
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
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-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione (CID 753354) is 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1nc2nccc(-c3ccccc3)n2n1.
What is the InChIKey of 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
The InChIKey is UCGCUMYEUDKRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N5O2/c25-16-13-8-4-5-9-14(13)17(26)23(16)19-21-18-20-11-10-15(24(18)22-19)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione has a molecular weight of 341.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 753354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).