2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione

C14H12N4O2 — CID 62763030

IUPAC2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCc3cnccn3)cc2C1=O
InChIInChI=1S/C14H12N4O2/c1-18-13(19)11-3-2-9(6-12(11)14(18)20)17-8-10-7-15-4-5-16-10/h2-7,17H,8H2,1H3
InChIKeyCAXPNLSEVXPIFB-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione

2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione (PubChem CID 62763030) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione
PubChem CID62763030
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCc3cnccn3)cc2C1=O
InChIInChI=1S/C14H12N4O2/c1-18-13(19)11-3-2-9(6-12(11)14(18)20)17-8-10-7-15-4-5-16-10/h2-7,17H,8H2,1H3
InChIKeyCAXPNLSEVXPIFB-UHFFFAOYSA-N
XLogP1.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione (CID 62763030) is 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione is CN1C(=O)c2ccc(NCc3cnccn3)cc2C1=O.
What is the InChIKey of 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione?
The InChIKey is CAXPNLSEVXPIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-13(19)11-3-2-9(6-12(11)14(18)20)17-8-10-7-15-4-5-16-10/h2-7,17H,8H2,1H3.
What are the key properties of 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione?
2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione has a molecular weight of 268.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrazin-2-ylmethylamino)isoindole-1,3-dione is sourced from PubChem (CID 62763030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).