3,4,5-trihydroxybenzohydrazide

C7H8N2O4 — CID 592744

IUPAC3,4,5-trihydroxybenzohydrazide
SMILESNNC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C7H8N2O4/c8-9-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12H,8H2,(H,9,13)
InChIKeyFBCVSPDPLQWYJV-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.59
Rot. Bonds1

About 3,4,5-trihydroxybenzohydrazide

3,4,5-trihydroxybenzohydrazide (PubChem CID 592744) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3,4,5-trihydroxybenzohydrazide.

Molecular Properties

Compound Name3,4,5-trihydroxybenzohydrazide
PubChem CID592744
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3,4,5-trihydroxybenzohydrazide
SMILESNNC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C7H8N2O4/c8-9-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12H,8H2,(H,9,13)
InChIKeyFBCVSPDPLQWYJV-UHFFFAOYSA-N
XLogP-0.59
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxybenzohydrazide?
The IUPAC name of 3,4,5-trihydroxybenzohydrazide (CID 592744) is 3,4,5-trihydroxybenzohydrazide.
What is the SMILES notation for 3,4,5-trihydroxybenzohydrazide?
The canonical SMILES for 3,4,5-trihydroxybenzohydrazide is NNC(=O)c1cc(O)c(O)c(O)c1.
What is the InChIKey of 3,4,5-trihydroxybenzohydrazide?
The InChIKey is FBCVSPDPLQWYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c8-9-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12H,8H2,(H,9,13).
What are the key properties of 3,4,5-trihydroxybenzohydrazide?
3,4,5-trihydroxybenzohydrazide has a molecular weight of 184.15 g/mol, XLogP of -0.59, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxybenzohydrazide is sourced from PubChem (CID 592744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).