N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide

C7H8N4O3 — CID 22674964

IUPACN-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide
SMILESNC(=O)CNC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C7H8N4O3/c8-4(12)3-11-7(14)5-6(13)10-2-1-9-5/h1-2H,3H2,(H2,8,12)(H,10,13)(H,11,14)
InChIKeyCXYRQCRHKMZPAS-UHFFFAOYSA-N
MW196.17 g/mol
LogP-2.02
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide

N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 22674964) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID22674964
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC NameN-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide
SMILESNC(=O)CNC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C7H8N4O3/c8-4(12)3-11-7(14)5-6(13)10-2-1-9-5/h1-2H,3H2,(H2,8,12)(H,10,13)(H,11,14)
InChIKeyCXYRQCRHKMZPAS-UHFFFAOYSA-N
XLogP-2.02
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide (CID 22674964) is N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide is NC(=O)CNC(=O)c1ncc[nH]c1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is CXYRQCRHKMZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c8-4(12)3-11-7(14)5-6(13)10-2-1-9-5/h1-2H,3H2,(H2,8,12)(H,10,13)(H,11,14).
What are the key properties of N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide?
N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 196.17 g/mol, XLogP of -2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 22674964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).