benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide

C10H16N4O5 — CID 68738224

IUPACbenzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide
SMILESNNC(=O)COCC(=O)NN.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.C4H10N4O3/c7-5-2-1-3-6(8)4-5;5-7-3(9)1-11-2-4(10)8-6/h1-4,7-8H;1-2,5-6H2,(H,7,9)(H,8,10)
InChIKeyGXGMLHLXTNVBOQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.92
Rot. Bonds4

About benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide

benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide (PubChem CID 68738224) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide.

Molecular Properties

Compound Namebenzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide
PubChem CID68738224
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Namebenzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide
SMILESNNC(=O)COCC(=O)NN.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.C4H10N4O3/c7-5-2-1-3-6(8)4-5;5-7-3(9)1-11-2-4(10)8-6/h1-4,7-8H;1-2,5-6H2,(H,7,9)(H,8,10)
InChIKeyGXGMLHLXTNVBOQ-UHFFFAOYSA-N
XLogP-1.92
TPSA159.93 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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

2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide;4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 68738715
2-(3-hydroxyanilino)acetohydrazide
CID 132888164
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
benzene-1,3-diol;ethyl acetate
CID 175540003
benzene-1,3-diol;phosphoric acid
CID 87069465
benzene-1,3-diol;phosphoric acid
CID 66603395
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
2-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]acetohydrazide
CID 116845495
bis(benzene-1,3-diol);formaldehyde
CID 174734201
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide?
The IUPAC name of benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide (CID 68738224) is benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide.
What is the SMILES notation for benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide?
The canonical SMILES for benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide is NNC(=O)COCC(=O)NN.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide?
The InChIKey is GXGMLHLXTNVBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C4H10N4O3/c7-5-2-1-3-6(8)4-5;5-7-3(9)1-11-2-4(10)8-6/h1-4,7-8H;1-2,5-6H2,(H,7,9)(H,8,10).
What are the key properties of benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide?
benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide has a molecular weight of 272.26 g/mol, XLogP of -1.92, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide is sourced from PubChem (CID 68738224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).