3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide

C9H12N4O3 — CID 6420585

IUPAC3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
SMILESNNC(=O)COc1cccc(C(=O)NN)c1
InChIInChI=1S/C9H12N4O3/c10-12-8(14)5-16-7-3-1-2-6(4-7)9(15)13-11/h1-4H,5,10-11H2,(H,12,14)(H,13,15)
InChIKeyFULMBIUKFMKJQQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.34
Rot. Bonds4

About 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide

3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide (PubChem CID 6420585) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide.

Molecular Properties

Compound Name3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
PubChem CID6420585
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
SMILESNNC(=O)COc1cccc(C(=O)NN)c1
InChIInChI=1S/C9H12N4O3/c10-12-8(14)5-16-7-3-1-2-6(4-7)9(15)13-11/h1-4H,5,10-11H2,(H,12,14)(H,13,15)
InChIKeyFULMBIUKFMKJQQ-UHFFFAOYSA-N
XLogP-1.34
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-pentoxybenzohydrazide
CID 54793157
2-(3-benzylphenoxy)acetohydrazide
CID 154999713
3-hexoxybenzohydrazide
CID 54793158
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
3-heptoxybenzohydrazide
CID 54793165
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 107760958

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide?
The IUPAC name of 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide (CID 6420585) is 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide.
What is the SMILES notation for 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide?
The canonical SMILES for 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide is NNC(=O)COc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide?
The InChIKey is FULMBIUKFMKJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-12-8(14)5-16-7-3-1-2-6(4-7)9(15)13-11/h1-4H,5,10-11H2,(H,12,14)(H,13,15).
What are the key properties of 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide?
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide has a molecular weight of 224.22 g/mol, XLogP of -1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide is sourced from PubChem (CID 6420585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).