3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one

C15H20N4O — CID 62927796

IUPAC3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)c2cccc(N)c2)c1=O
InChIInChI=1S/C15H20N4O/c1-3-8-19-9-7-17-14(15(19)20)18-11(2)12-5-4-6-13(16)10-12/h4-7,9-11H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyUOCCOEIQOYYGCI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.41
Rot. Bonds5

About 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one

3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one (PubChem CID 62927796) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
PubChem CID62927796
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)c2cccc(N)c2)c1=O
InChIInChI=1S/C15H20N4O/c1-3-8-19-9-7-17-14(15(19)20)18-11(2)12-5-4-6-13(16)10-12/h4-7,9-11H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyUOCCOEIQOYYGCI-UHFFFAOYSA-N
XLogP2.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one (CID 62927796) is 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NC(C)c2cccc(N)c2)c1=O.
What is the InChIKey of 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one?
The InChIKey is UOCCOEIQOYYGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-8-19-9-7-17-14(15(19)20)18-11(2)12-5-4-6-13(16)10-12/h4-7,9-11H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one?
3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).