3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one

C15H16N4O — CID 66000514

IUPAC3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one
SMILESNc1ccc2c(c1)CN(c1nccn(C3CC3)c1=O)C2
InChIInChI=1S/C15H16N4O/c16-12-2-1-10-8-18(9-11(10)7-12)14-15(20)19(6-5-17-14)13-3-4-13/h1-2,5-7,13H,3-4,8-9,16H2
InChIKeyUPEATARPBDUMOB-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.68
Rot. Bonds2

About 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one

3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one (PubChem CID 66000514) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one
PubChem CID66000514
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one
SMILESNc1ccc2c(c1)CN(c1nccn(C3CC3)c1=O)C2
InChIInChI=1S/C15H16N4O/c16-12-2-1-10-8-18(9-11(10)7-12)14-15(20)19(6-5-17-14)13-3-4-13/h1-2,5-7,13H,3-4,8-9,16H2
InChIKeyUPEATARPBDUMOB-UHFFFAOYSA-N
XLogP1.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one (CID 66000514) is 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one is Nc1ccc2c(c1)CN(c1nccn(C3CC3)c1=O)C2.
What is the InChIKey of 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one?
The InChIKey is UPEATARPBDUMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-12-2-1-10-8-18(9-11(10)7-12)14-15(20)19(6-5-17-14)13-3-4-13/h1-2,5-7,13H,3-4,8-9,16H2.
What are the key properties of 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one?
3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one has a molecular weight of 268.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 66000514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).