4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one

C11H15N5O3 — CID 107352999

IUPAC4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
SMILESNNc1c(CN2CCNC(=O)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O3/c12-14-11-8(2-1-3-9(11)16(18)19)6-15-5-4-13-10(17)7-15/h1-3,14H,4-7,12H2,(H,13,17)
InChIKeyGOZZCSWPCIKPCG-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.19
Rot. Bonds4

About 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one

4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one (PubChem CID 107352999) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
PubChem CID107352999
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
SMILESNNc1c(CN2CCNC(=O)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O3/c12-14-11-8(2-1-3-9(11)16(18)19)6-15-5-4-13-10(17)7-15/h1-3,14H,4-7,12H2,(H,13,17)
InChIKeyGOZZCSWPCIKPCG-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'}

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Related Compounds

4-[(2-methyl-3-nitrophenyl)methyl]piperazin-2-one
CID 47277834
4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one
CID 62246881
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107352957
[2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 107353157
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
[2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]hydrazine
CID 107353090
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246
[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-6-nitrophenyl]hydrazine
CID 107459272
[2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107395035
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
CID 62472006

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one (CID 107352999) is 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one is NNc1c(CN2CCNC(=O)C2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one?
The InChIKey is GOZZCSWPCIKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-14-11-8(2-1-3-9(11)16(18)19)6-15-5-4-13-10(17)7-15/h1-3,14H,4-7,12H2,(H,13,17).
What are the key properties of 4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one?
4-[(2-hydrazinyl-3-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-3-nitrophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 107352999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).