1-[3-(2-aminophenoxy)propyl]pyrazin-2-one

C13H15N3O2 — CID 112753689

IUPAC1-[3-(2-aminophenoxy)propyl]pyrazin-2-one
SMILESNc1ccccc1OCCCn1ccncc1=O
InChIInChI=1S/C13H15N3O2/c14-11-4-1-2-5-12(11)18-9-3-7-16-8-6-15-10-13(16)17/h1-2,4-6,8,10H,3,7,9,14H2
InChIKeyKZLSQEQNQZQXIG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.29
Rot. Bonds5

About 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one

1-[3-(2-aminophenoxy)propyl]pyrazin-2-one (PubChem CID 112753689) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[3-(2-aminophenoxy)propyl]pyrazin-2-one
PubChem CID112753689
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[3-(2-aminophenoxy)propyl]pyrazin-2-one
SMILESNc1ccccc1OCCCn1ccncc1=O
InChIInChI=1S/C13H15N3O2/c14-11-4-1-2-5-12(11)18-9-3-7-16-8-6-15-10-13(16)17/h1-2,4-6,8,10H,3,7,9,14H2
InChIKeyKZLSQEQNQZQXIG-UHFFFAOYSA-N
XLogP1.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one?
The IUPAC name of 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one (CID 112753689) is 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one.
What is the SMILES notation for 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one?
The canonical SMILES for 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one is Nc1ccccc1OCCCn1ccncc1=O.
What is the InChIKey of 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one?
The InChIKey is KZLSQEQNQZQXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-11-4-1-2-5-12(11)18-9-3-7-16-8-6-15-10-13(16)17/h1-2,4-6,8,10H,3,7,9,14H2.
What are the key properties of 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one?
1-[3-(2-aminophenoxy)propyl]pyrazin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenoxy)propyl]pyrazin-2-one is sourced from PubChem (CID 112753689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).