phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate

C11H9N3O3 — CID 141209290

IUPACphenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
SMILESO=C(Nc1ncc[nH]c1=O)Oc1ccccc1
InChIInChI=1S/C11H9N3O3/c15-10-9(12-6-7-13-10)14-11(16)17-8-4-2-1-3-5-8/h1-7H,(H,13,15)(H,12,14,16)
InChIKeyGKGKMWGYNXOGPW-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.38
Rot. Bonds2

About phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate

phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate (PubChem CID 141209290) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
PubChem CID141209290
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Namephenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
SMILESO=C(Nc1ncc[nH]c1=O)Oc1ccccc1
InChIInChI=1S/C11H9N3O3/c15-10-9(12-6-7-13-10)14-11(16)17-8-4-2-1-3-5-8/h1-7H,(H,13,15)(H,12,14,16)
InChIKeyGKGKMWGYNXOGPW-UHFFFAOYSA-N
XLogP1.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
The IUPAC name of phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate (CID 141209290) is phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate.
What is the SMILES notation for phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
The canonical SMILES for phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate is O=C(Nc1ncc[nH]c1=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
The InChIKey is GKGKMWGYNXOGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10-9(12-6-7-13-10)14-11(16)17-8-4-2-1-3-5-8/h1-7H,(H,13,15)(H,12,14,16).
What are the key properties of phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate?
phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate has a molecular weight of 231.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-oxo-1H-pyrazin-3-yl)carbamate is sourced from PubChem (CID 141209290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).