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

C7H9N3O2 — CID 143824989

IUPAC3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide
SMILESCc1nc(C)c(=O)[nH]c1C(N)=O
InChIInChI=1S/C7H9N3O2/c1-3-5(6(8)11)10-7(12)4(2)9-3/h1-2H3,(H2,8,11)(H,10,12)
InChIKeyPQOAQVZBFCFQBK-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.51
Rot. Bonds1

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

3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 143824989) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID143824989
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide
SMILESCc1nc(C)c(=O)[nH]c1C(N)=O
InChIInChI=1S/C7H9N3O2/c1-3-5(6(8)11)10-7(12)4(2)9-3/h1-2H3,(H2,8,11)(H,10,12)
InChIKeyPQOAQVZBFCFQBK-UHFFFAOYSA-N
XLogP-0.51
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide (CID 143824989) is 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide is Cc1nc(C)c(=O)[nH]c1C(N)=O.
What is the InChIKey of 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is PQOAQVZBFCFQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-3-5(6(8)11)10-7(12)4(2)9-3/h1-2H3,(H2,8,11)(H,10,12).
What are the key properties of 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide?
3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 143824989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).