N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide

C6H7N3O3 — CID 12670244

IUPACN-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
SMILESCNC(=O)c1c[n+]([O-])cc(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c1-7-6(11)4-2-9(12)3-5(10)8-4/h2-3H,1H3,(H,7,11)(H,8,10)
InChIKeyYRSUCBXXQDFELR-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.63
Rot. Bonds1

About N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide

N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide (PubChem CID 12670244) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
PubChem CID12670244
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC NameN-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide
SMILESCNC(=O)c1c[n+]([O-])cc(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c1-7-6(11)4-2-9(12)3-5(10)8-4/h2-3H,1H3,(H,7,11)(H,8,10)
InChIKeyYRSUCBXXQDFELR-UHFFFAOYSA-N
XLogP-1.63
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide?
The IUPAC name of N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide (CID 12670244) is N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide.
What is the SMILES notation for N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide?
The canonical SMILES for N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide is CNC(=O)c1c[n+]([O-])cc(=O)[nH]1.
What is the InChIKey of N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide?
The InChIKey is YRSUCBXXQDFELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-7-6(11)4-2-9(12)3-5(10)8-4/h2-3H,1H3,(H,7,11)(H,8,10).
What are the key properties of N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide?
N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide has a molecular weight of 169.14 g/mol, XLogP of -1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxido-6-oxo-1H-pyrazin-4-ium-2-carboxamide is sourced from PubChem (CID 12670244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).