4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one

C9H11ClN4O — CID 104918759

IUPAC4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one
SMILESNc1cc(Cl)nc(N2CCNC(=O)C2)c1
InChIInChI=1S/C9H11ClN4O/c10-7-3-6(11)4-8(13-7)14-2-1-12-9(15)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,15)
InChIKeyPZXLECZRJJFDAR-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.25
Rot. Bonds1

About 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one

4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one (PubChem CID 104918759) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one
PubChem CID104918759
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one
SMILESNc1cc(Cl)nc(N2CCNC(=O)C2)c1
InChIInChI=1S/C9H11ClN4O/c10-7-3-6(11)4-8(13-7)14-2-1-12-9(15)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,15)
InChIKeyPZXLECZRJJFDAR-UHFFFAOYSA-N
XLogP0.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-2,6-dichlorophenyl)piperazin-2-one
CID 106889764
4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
CID 104924420
4-(6-aminopyrazin-2-yl)piperazin-2-one
CID 78988933
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80546802
2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
CID 104918719
4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-2-one
CID 154784481
4-(6-chloro-2-propylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80946128
1-(4-amino-6-chloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 104924805
2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008995
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
3-amino-4-(3-oxopiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 123935943
4-(6-hydrazinylpyrazin-2-yl)piperazin-2-one
CID 80932982

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one (CID 104918759) is 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one is Nc1cc(Cl)nc(N2CCNC(=O)C2)c1.
What is the InChIKey of 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one?
The InChIKey is PZXLECZRJJFDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-7-3-6(11)4-8(13-7)14-2-1-12-9(15)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,15).
What are the key properties of 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one?
4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one has a molecular weight of 226.67 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-chloro-2-pyridinyl)piperazin-2-one is sourced from PubChem (CID 104918759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).