3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one

C15H18N4O — CID 105357920

IUPAC3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2ccc3c(c2)CNC3)c1=O
InChIInChI=1S/C15H18N4O/c1-2-19-6-5-17-14(15(19)20)18-8-11-3-4-12-9-16-10-13(12)7-11/h3-7,16H,2,8-10H2,1H3,(H,17,18)
InChIKeyKZQYBHNNJXOGAL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.48
Rot. Bonds4

About 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one

3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one (PubChem CID 105357920) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one
PubChem CID105357920
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2ccc3c(c2)CNC3)c1=O
InChIInChI=1S/C15H18N4O/c1-2-19-6-5-17-14(15(19)20)18-8-11-3-4-12-9-16-10-13(12)7-11/h3-7,16H,2,8-10H2,1H3,(H,17,18)
InChIKeyKZQYBHNNJXOGAL-UHFFFAOYSA-N
XLogP1.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one (CID 105357920) is 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one is CCn1ccnc(NCc2ccc3c(c2)CNC3)c1=O.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one?
The InChIKey is KZQYBHNNJXOGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-19-6-5-17-14(15(19)20)18-8-11-3-4-12-9-16-10-13(12)7-11/h3-7,16H,2,8-10H2,1H3,(H,17,18).
What are the key properties of 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one?
3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1-ethylpyrazin-2-one is sourced from PubChem (CID 105357920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).