5-(3-aminophenyl)-1H-pyrazin-2-one

C10H9N3O — CID 67016956

IUPAC5-(3-aminophenyl)-1H-pyrazin-2-one
SMILESNc1cccc(-c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C10H9N3O/c11-8-3-1-2-7(4-8)9-5-13-10(14)6-12-9/h1-6H,11H2,(H,13,14)
InChIKeyULWAXQULANZKFJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.02
Rot. Bonds1

About 5-(3-aminophenyl)-1H-pyrazin-2-one

5-(3-aminophenyl)-1H-pyrazin-2-one (PubChem CID 67016956) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-(3-aminophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(3-aminophenyl)-1H-pyrazin-2-one
PubChem CID67016956
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-(3-aminophenyl)-1H-pyrazin-2-one
SMILESNc1cccc(-c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C10H9N3O/c11-8-3-1-2-7(4-8)9-5-13-10(14)6-12-9/h1-6H,11H2,(H,13,14)
InChIKeyULWAXQULANZKFJ-UHFFFAOYSA-N
XLogP1.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(3-aminophenyl)-1H-pyrazin-2-one (CID 67016956) is 5-(3-aminophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(3-aminophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(3-aminophenyl)-1H-pyrazin-2-one is Nc1cccc(-c2c[nH]c(=O)cn2)c1.
What is the InChIKey of 5-(3-aminophenyl)-1H-pyrazin-2-one?
The InChIKey is ULWAXQULANZKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-8-3-1-2-7(4-8)9-5-13-10(14)6-12-9/h1-6H,11H2,(H,13,14).
What are the key properties of 5-(3-aminophenyl)-1H-pyrazin-2-one?
5-(3-aminophenyl)-1H-pyrazin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 67016956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).