5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile

C7H7N3O — CID 58851982

IUPAC5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile
SMILESCc1nc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C7H7N3O/c1-4-5(2)10-7(11)6(3-8)9-4/h1-2H3,(H,10,11)
InChIKeyNCOHQTZZCBEAJV-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.26
Rot. Bonds

About 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile

5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile (PubChem CID 58851982) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile
PubChem CID58851982
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile
SMILESCc1nc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C7H7N3O/c1-4-5(2)10-7(11)6(3-8)9-4/h1-2H3,(H,10,11)
InChIKeyNCOHQTZZCBEAJV-UHFFFAOYSA-N
XLogP0.26
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-3-prop-2-enyl-1H-pyrazin-2-one
CID 70353542
2-methyl-1H-imidazole-4,5-dicarbonitrile
CID 3847698
3-oxo-5,6,7,8-tetrahydro-4H-quinoxaline-2-carbonitrile
CID 14686422
5-amino-6-methylpyrazine-2,3-dicarbonitrile
CID 71440315
4,5-dimethyl-1H-imidazole-2-carboxylic acid
CID 14474276
6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile
CID 15392040
acetaldehyde;butane-2,3-dione;molecular iodine;2,4,5-trimethyl-1H-imidazole
CID 161228444
5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile
CID 82373758
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
CID 66980847
5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 595327
5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70833654

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile (CID 58851982) is 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile is Cc1nc(C#N)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile?
The InChIKey is NCOHQTZZCBEAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-4-5(2)10-7(11)6(3-8)9-4/h1-2H3,(H,10,11).
What are the key properties of 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile?
5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile is sourced from PubChem (CID 58851982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).