3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one

C14H17N5O — CID 114571063

IUPAC3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESNc1ccc(N2CCN(c3ncc[nH]c3=O)CC2)cc1
InChIInChI=1S/C14H17N5O/c15-11-1-3-12(4-2-11)18-7-9-19(10-8-18)13-14(20)17-6-5-16-13/h1-6H,7-10,15H2,(H,17,20)
InChIKeyUUKVTZJQGWFDAK-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.68
Rot. Bonds2

About 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one

3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 114571063) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID114571063
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESNc1ccc(N2CCN(c3ncc[nH]c3=O)CC2)cc1
InChIInChI=1S/C14H17N5O/c15-11-1-3-12(4-2-11)18-7-9-19(10-8-18)13-14(20)17-6-5-16-13/h1-6H,7-10,15H2,(H,17,20)
InChIKeyUUKVTZJQGWFDAK-UHFFFAOYSA-N
XLogP0.68
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one (CID 114571063) is 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one is Nc1ccc(N2CCN(c3ncc[nH]c3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is UUKVTZJQGWFDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-11-1-3-12(4-2-11)18-7-9-19(10-8-18)13-14(20)17-6-5-16-13/h1-6H,7-10,15H2,(H,17,20).
What are the key properties of 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 271.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminophenyl)piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 114571063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).