1-hydrazinylpyrrole-2,5-diol

C4H7N3O2 — CID 91148052

IUPAC1-hydrazinylpyrrole-2,5-diol
SMILESNNn1c(O)ccc1O
InChIInChI=1S/C4H7N3O2/c5-6-7-3(8)1-2-4(7)9/h1-2,6,8-9H,5H2
InChIKeyBIBRPQZDOXUBOR-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.68
Rot. Bonds1

About 1-hydrazinylpyrrole-2,5-diol

1-hydrazinylpyrrole-2,5-diol (PubChem CID 91148052) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 1-hydrazinylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-hydrazinylpyrrole-2,5-diol
PubChem CID91148052
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name1-hydrazinylpyrrole-2,5-diol
SMILESNNn1c(O)ccc1O
InChIInChI=1S/C4H7N3O2/c5-6-7-3(8)1-2-4(7)9/h1-2,6,8-9H,5H2
InChIKeyBIBRPQZDOXUBOR-UHFFFAOYSA-N
XLogP-0.68
TPSA83.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1H-pyrrole-2,5-diol
CID 53710320
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
1-(2,5-Dihydroxypyrrol-1-yl)ethanone
CID 54531133
(2,5-Dihydroxypyrrol-1-yl)-methylcarbamic acid
CID 57312252
1,3-Diiodopyrrole-2,5-diol
CID 90763766

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylpyrrole-2,5-diol?
The IUPAC name of 1-hydrazinylpyrrole-2,5-diol (CID 91148052) is 1-hydrazinylpyrrole-2,5-diol.
What is the SMILES notation for 1-hydrazinylpyrrole-2,5-diol?
The canonical SMILES for 1-hydrazinylpyrrole-2,5-diol is NNn1c(O)ccc1O.
What is the InChIKey of 1-hydrazinylpyrrole-2,5-diol?
The InChIKey is BIBRPQZDOXUBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-6-7-3(8)1-2-4(7)9/h1-2,6,8-9H,5H2.
What are the key properties of 1-hydrazinylpyrrole-2,5-diol?
1-hydrazinylpyrrole-2,5-diol has a molecular weight of 129.12 g/mol, XLogP of -0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylpyrrole-2,5-diol is sourced from PubChem (CID 91148052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).