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

C20H15N5O2 — CID 2932971

IUPAC2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione
SMILESCC1=CC(c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1
InChIInChI=1S/C20H15N5O2/c1-12-11-16(13-7-3-2-4-8-13)25-19(21-12)22-20(23-25)24-17(26)14-9-5-6-10-15(14)18(24)27/h2-11,16H,1H3,(H,21,22,23)
InChIKeyYSDOEPZSVXKKRS-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.00
Rot. Bonds2

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

2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione (PubChem CID 2932971) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione
PubChem CID2932971
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione
SMILESCC1=CC(c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1
InChIInChI=1S/C20H15N5O2/c1-12-11-16(13-7-3-2-4-8-13)25-19(21-12)22-20(23-25)24-17(26)14-9-5-6-10-15(14)18(24)27/h2-11,16H,1H3,(H,21,22,23)
InChIKeyYSDOEPZSVXKKRS-UHFFFAOYSA-N
XLogP3.00
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.00
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-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione (CID 2932971) is 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione is CC1=CC(c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1.
What is the InChIKey of 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
The InChIKey is YSDOEPZSVXKKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-12-11-16(13-7-3-2-4-8-13)25-19(21-12)22-20(23-25)24-17(26)14-9-5-6-10-15(14)18(24)27/h2-11,16H,1H3,(H,21,22,23).
What are the key properties of 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione?
2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione has a molecular weight of 357.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2932971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).