5-(aminomethyl)-3-methyl-1H-pyrazin-2-one

C6H9N3O — CID 133062621

IUPAC5-(aminomethyl)-3-methyl-1H-pyrazin-2-one
SMILESCc1nc(CN)c[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-4-6(10)8-3-5(2-7)9-4/h3H,2,7H2,1H3,(H,8,10)
InChIKeyGASYCNDZFLYMCE-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.46
Rot. Bonds1

About 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one

5-(aminomethyl)-3-methyl-1H-pyrazin-2-one (PubChem CID 133062621) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-methyl-1H-pyrazin-2-one
PubChem CID133062621
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-(aminomethyl)-3-methyl-1H-pyrazin-2-one
SMILESCc1nc(CN)c[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-4-6(10)8-3-5(2-7)9-4/h3H,2,7H2,1H3,(H,8,10)
InChIKeyGASYCNDZFLYMCE-UHFFFAOYSA-N
XLogP-0.46
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1H-pyrazin-2-one
CID 13123639
2-Hydroxy-3-methylpyrazine
CID 88276
6-Methyl-5-oxo-4,5-dihydropyrazine-2-carboxamide
CID 12619143
5-Isopropyl-3-methylpyrazin-2-ol
CID 13045102
5-Hydroxy-6-methylpyrazine-2-carbonitrile
CID 19915809
5-ethyl-3-methyl-1H-pyrazin-2-one
CID 20528959
1,3,5-Trimethylpyrazin-2-one
CID 20646799
2-ethenylimino-N-(trideuteriomethyl)propanamide
CID 89424951
3-Hydroxy-6-methylpyrazine-2-carbonitrile
CID 89805178
2,5-Dimethyl-3-methylidene-1,2-dihydropyrazin-6-one
CID 90868264
3,4-dimethyl-1H-pyrazin-4-ium-2-one
CID 91078588
3-methyl-1H-pyrazin-2-one;molecular hydrogen
CID 142113930

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one?
The IUPAC name of 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one (CID 133062621) is 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one is Cc1nc(CN)c[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one?
The InChIKey is GASYCNDZFLYMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-6(10)8-3-5(2-7)9-4/h3H,2,7H2,1H3,(H,8,10).
What are the key properties of 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one?
5-(aminomethyl)-3-methyl-1H-pyrazin-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 133062621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).