3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one

C12H13N3O — CID 178183735

IUPAC3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one
SMILESCc1cccc(-c2cnc(N)c(=O)[nH]2)c1C
InChIInChI=1S/C12H13N3O/c1-7-4-3-5-9(8(7)2)10-6-14-11(13)12(16)15-10/h3-6H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyYMUINKQRIGRFEV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.64
Rot. Bonds1

About 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one

3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one (PubChem CID 178183735) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one
PubChem CID178183735
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one
SMILESCc1cccc(-c2cnc(N)c(=O)[nH]2)c1C
InChIInChI=1S/C12H13N3O/c1-7-4-3-5-9(8(7)2)10-6-14-11(13)12(16)15-10/h3-6H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyYMUINKQRIGRFEV-UHFFFAOYSA-N
XLogP1.64
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one (CID 178183735) is 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one is Cc1cccc(-c2cnc(N)c(=O)[nH]2)c1C.
What is the InChIKey of 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one?
The InChIKey is YMUINKQRIGRFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-4-3-5-9(8(7)2)10-6-14-11(13)12(16)15-10/h3-6H,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one?
3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,3-dimethylphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 178183735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).