3-(dimethylcarbamoyl)pyrazine-2-carboxylate

C8H8N3O3- — CID 121238753

IUPAC3-(dimethylcarbamoyl)pyrazine-2-carboxylate
SMILESCN(C)C(=O)c1nccnc1C(=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-11(2)7(12)5-6(8(13)14)10-4-3-9-5/h3-4H,1-2H3,(H,13,14)/p-1
InChIKeyWIMYFRJMBUNHJX-UHFFFAOYSA-M
MW194.17 g/mol
LogP-1.46
Rot. Bonds2

About 3-(dimethylcarbamoyl)pyrazine-2-carboxylate

3-(dimethylcarbamoyl)pyrazine-2-carboxylate (PubChem CID 121238753) has the molecular formula C8H8N3O3- and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)pyrazine-2-carboxylate
PubChem CID121238753
Molecular FormulaC8H8N3O3-
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name3-(dimethylcarbamoyl)pyrazine-2-carboxylate
SMILESCN(C)C(=O)c1nccnc1C(=O)[O-]
InChIInChI=1S/C8H9N3O3/c1-11(2)7(12)5-6(8(13)14)10-4-3-9-5/h3-4H,1-2H3,(H,13,14)/p-1
InChIKeyWIMYFRJMBUNHJX-UHFFFAOYSA-M
XLogP-1.46
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)
CID 163323475
3-aminopyrazine-2-carboxylate
CID 6973597
diazanium bis(3-aminopyrazine-2-carboxylate)
CID 139080956
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide
CID 12869122
3-phenylpyrazine-2-carboxylate
CID 35549380
4-(dimethylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 21117607
5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 82399128
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
1-tert-butyl-N,N-dimethylimidazole-2-carboxamide
CID 58336927
3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270971

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)pyrazine-2-carboxylate?
The IUPAC name of 3-(dimethylcarbamoyl)pyrazine-2-carboxylate (CID 121238753) is 3-(dimethylcarbamoyl)pyrazine-2-carboxylate.
What is the SMILES notation for 3-(dimethylcarbamoyl)pyrazine-2-carboxylate?
The canonical SMILES for 3-(dimethylcarbamoyl)pyrazine-2-carboxylate is CN(C)C(=O)c1nccnc1C(=O)[O-].
What is the InChIKey of 3-(dimethylcarbamoyl)pyrazine-2-carboxylate?
The InChIKey is WIMYFRJMBUNHJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9N3O3/c1-11(2)7(12)5-6(8(13)14)10-4-3-9-5/h3-4H,1-2H3,(H,13,14)/p-1.
What are the key properties of 3-(dimethylcarbamoyl)pyrazine-2-carboxylate?
3-(dimethylcarbamoyl)pyrazine-2-carboxylate has a molecular weight of 194.17 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoyl)pyrazine-2-carboxylate is sourced from PubChem (CID 121238753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).