5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide

C9H10N4O4 — CID 150048883

IUPAC5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide
SMILESNNC(=O)c1cc(N2CC2)c(O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O4/c10-11-9(15)5-3-7(12-1-2-12)8(14)4-6(5)13(16)17/h3-4,14H,1-2,10H2,(H,11,15)
InChIKeyUAPZPJOLHYEOEV-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.28
Rot. Bonds3

About 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide

5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide (PubChem CID 150048883) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide.

Molecular Properties

Compound Name5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide
PubChem CID150048883
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide
SMILESNNC(=O)c1cc(N2CC2)c(O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O4/c10-11-9(15)5-3-7(12-1-2-12)8(14)4-6(5)13(16)17/h3-4,14H,1-2,10H2,(H,11,15)
InChIKeyUAPZPJOLHYEOEV-UHFFFAOYSA-N
XLogP-0.28
TPSA121.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-nitro-4-piperidin-1-ylbenzohydrazide
CID 50879598
5-methylsulfanyl-2-nitrobenzohydrazide
CID 43091236
3-(4-benzhydrylpiperazin-1-yl)-4-nitrobenzohydrazide
CID 142948725
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
3-chloro-5-nitro-4-piperidin-1-ylbenzohydrazide
CID 91674503
N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
CID 27694002
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 35355020
2-hydrazinyl-5-nitroterephthalic acid
CID 163903740
1-[4-[4-(aminomethyl)-2-nitrophenyl]piperazin-1-yl]ethanone
CID 98021669

Frequently Asked Questions

What is the IUPAC name of 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide?
The IUPAC name of 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide (CID 150048883) is 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide.
What is the SMILES notation for 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide?
The canonical SMILES for 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide is NNC(=O)c1cc(N2CC2)c(O)cc1[N+](=O)[O-].
What is the InChIKey of 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide?
The InChIKey is UAPZPJOLHYEOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c10-11-9(15)5-3-7(12-1-2-12)8(14)4-6(5)13(16)17/h3-4,14H,1-2,10H2,(H,11,15).
What are the key properties of 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide?
5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide has a molecular weight of 238.20 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aziridin-1-yl)-4-hydroxy-2-nitrobenzohydrazide is sourced from PubChem (CID 150048883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).