4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one

C11H15N5O3 — CID 62246881

IUPAC4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one
SMILESNNc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)C1
InChIInChI=1S/C11H15N5O3/c12-14-10-2-1-9(16(18)19)5-8(10)6-15-4-3-13-11(17)7-15/h1-2,5,14H,3-4,6-7,12H2,(H,13,17)
InChIKeyWAELSESQFLKMJZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.19
Rot. Bonds4

About 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one

4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one (PubChem CID 62246881) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one
PubChem CID62246881
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one
SMILESNNc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)C1
InChIInChI=1S/C11H15N5O3/c12-14-10-2-1-9(16(18)19)5-8(10)6-15-4-3-13-11(17)7-15/h1-2,5,14H,3-4,6-7,12H2,(H,13,17)
InChIKeyWAELSESQFLKMJZ-UHFFFAOYSA-N
XLogP-0.19
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
CID 107352999
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 65281765
4-[[2-(ethylamino)-5-nitrophenyl]methyl]piperazine-2,6-dione
CID 66085787
4-[(2-methyl-3-nitrophenyl)methyl]piperazin-2-one
CID 47277834
4-[(2-amino-5-nitrophenyl)methyl]piperazine-2,6-dione
CID 66085784
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465341
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680423
4-(2-methyl-4-nitrophenyl)sulfonylpiperazin-2-one
CID 37496718
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512782
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine
CID 62245888

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one (CID 62246881) is 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one is NNc1ccc([N+](=O)[O-])cc1CN1CCNC(=O)C1.
What is the InChIKey of 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one?
The InChIKey is WAELSESQFLKMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-14-10-2-1-9(16(18)19)5-8(10)6-15-4-3-13-11(17)7-15/h1-2,5,14H,3-4,6-7,12H2,(H,13,17).
What are the key properties of 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one?
4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one has a molecular weight of 265.27 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 62246881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).