5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one

C15H16N4O — CID 116833743

IUPAC5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(CN)c3cnccn3)ccc21
InChIInChI=1S/C15H16N4O/c1-19-14-3-2-10(6-11(14)7-15(19)20)12(8-16)13-9-17-4-5-18-13/h2-6,9,12H,7-8,16H2,1H3
InChIKeyHINGJKTVIXPUGF-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.09
Rot. Bonds3

About 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one

5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one (PubChem CID 116833743) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one
PubChem CID116833743
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(CN)c3cnccn3)ccc21
InChIInChI=1S/C15H16N4O/c1-19-14-3-2-10(6-11(14)7-15(19)20)12(8-16)13-9-17-4-5-18-13/h2-6,9,12H,7-8,16H2,1H3
InChIKeyHINGJKTVIXPUGF-UHFFFAOYSA-N
XLogP1.09
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-1-pyrimidin-2-ylethyl)-1-methyl-3H-indol-2-one
CID 116833836
5-[2-amino-1-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290175
2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine
CID 116833741
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
(2S)-2-phenyl-2-pyrazin-2-ylethanamine
CID 129371603
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
3-(1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 82116151

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one (CID 116833743) is 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(CN)c3cnccn3)ccc21.
What is the InChIKey of 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one?
The InChIKey is HINGJKTVIXPUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-14-3-2-10(6-11(14)7-15(19)20)12(8-16)13-9-17-4-5-18-13/h2-6,9,12H,7-8,16H2,1H3.
What are the key properties of 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one?
5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one has a molecular weight of 268.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116833743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).