2-(2-methyl-5-nitroanilino)acetohydrazide

C9H12N4O3 — CID 820580

IUPAC2-(2-methyl-5-nitroanilino)acetohydrazide
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)NN
InChIInChI=1S/C9H12N4O3/c1-6-2-3-7(13(15)16)4-8(6)11-5-9(14)12-10/h2-4,11H,5,10H2,1H3,(H,12,14)
InChIKeyHUZPRTYOPKVAAX-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.31
Rot. Bonds4

About 2-(2-methyl-5-nitroanilino)acetohydrazide

2-(2-methyl-5-nitroanilino)acetohydrazide (PubChem CID 820580) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2-methyl-5-nitroanilino)acetohydrazide.

Molecular Properties

Compound Name2-(2-methyl-5-nitroanilino)acetohydrazide
PubChem CID820580
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(2-methyl-5-nitroanilino)acetohydrazide
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)NN
InChIInChI=1S/C9H12N4O3/c1-6-2-3-7(13(15)16)4-8(6)11-5-9(14)12-10/h2-4,11H,5,10H2,1H3,(H,12,14)
InChIKeyHUZPRTYOPKVAAX-UHFFFAOYSA-N
XLogP0.31
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
N'-{4-nitrobenzylidene}-2-(2-toluidino)acetohydrazide
CID 6876597
N-(4-Methyl-3-nitrophenyl)acetamide
CID 73133
p-Tolylamino-acetic acid hydrazide
CID 302675
N-(2-Methyl-5-nitro-phenyl)-2-(4-methyl-piperidin-1-yl)-acetamide
CID 783092
1-[2-(4-Methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2604398
N-(3-fluorophenyl)-2-[methyl-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 4967361
2-(cyclohexylamino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 799278
N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylpropanamide
CID 3135467
N-(2-Methyl-5-nitro-phenyl)-2-piperidin-1-yl-acetamide
CID 566520
N-(2-Methyl-5-nitrophenyl)acetamide
CID 76144
2-Ethylamino-4-nitrotoluene
CID 91791

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-nitroanilino)acetohydrazide?
The IUPAC name of 2-(2-methyl-5-nitroanilino)acetohydrazide (CID 820580) is 2-(2-methyl-5-nitroanilino)acetohydrazide.
What is the SMILES notation for 2-(2-methyl-5-nitroanilino)acetohydrazide?
The canonical SMILES for 2-(2-methyl-5-nitroanilino)acetohydrazide is Cc1ccc([N+](=O)[O-])cc1NCC(=O)NN.
What is the InChIKey of 2-(2-methyl-5-nitroanilino)acetohydrazide?
The InChIKey is HUZPRTYOPKVAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6-2-3-7(13(15)16)4-8(6)11-5-9(14)12-10/h2-4,11H,5,10H2,1H3,(H,12,14).
What are the key properties of 2-(2-methyl-5-nitroanilino)acetohydrazide?
2-(2-methyl-5-nitroanilino)acetohydrazide has a molecular weight of 224.22 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-nitroanilino)acetohydrazide is sourced from PubChem (CID 820580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).