3-amino-4-hydroxybenzohydrazide

C7H9N3O2 — CID 585879

IUPAC3-amino-4-hydroxybenzohydrazide
SMILESNNC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H9N3O2/c8-5-3-4(7(12)10-9)1-2-6(5)11/h1-3,11H,8-9H2,(H,10,12)
InChIKeyKNKNIBYXWQUDIH-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.42
Rot. Bonds1

About 3-amino-4-hydroxybenzohydrazide

3-amino-4-hydroxybenzohydrazide (PubChem CID 585879) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-amino-4-hydroxybenzohydrazide.

Molecular Properties

Compound Name3-amino-4-hydroxybenzohydrazide
PubChem CID585879
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-amino-4-hydroxybenzohydrazide
SMILESNNC(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C7H9N3O2/c8-5-3-4(7(12)10-9)1-2-6(5)11/h1-3,11H,8-9H2,(H,10,12)
InChIKeyKNKNIBYXWQUDIH-UHFFFAOYSA-N
XLogP-0.42
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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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Related Compounds

4-Hydroxybenzoic acid hydrazide
CID 1742
3-Amino-4-hydroxybenzoic acid
CID 65083
3-Amino-4-hydroxybenzoate
CID 54694272
3-Amino-4-hydroxybenzaldehyde
CID 11521082
3-Aminosalicylamide
CID 11378596
3-Amino-4-hydroxybenzamide
CID 22411224
4-Hydroxy-3-[(2-phenylacetyl)amino]benzamide
CID 11637584
4-Hydroxy-3-nitrobenzamide
CID 11849632
Bis(3-amino-4-hydroxyphenyl)methanone
CID 586092
1-(3-Amino-4-hydroxyphenyl)propan-1-one
CID 13366037
3'-Amino-4'-hydroxyacetophenone
CID 13724142
3-Amino-4-methoxybenzohydrazide
CID 23459017

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxybenzohydrazide?
The IUPAC name of 3-amino-4-hydroxybenzohydrazide (CID 585879) is 3-amino-4-hydroxybenzohydrazide.
What is the SMILES notation for 3-amino-4-hydroxybenzohydrazide?
The canonical SMILES for 3-amino-4-hydroxybenzohydrazide is NNC(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxybenzohydrazide?
The InChIKey is KNKNIBYXWQUDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-5-3-4(7(12)10-9)1-2-6(5)11/h1-3,11H,8-9H2,(H,10,12).
What are the key properties of 3-amino-4-hydroxybenzohydrazide?
3-amino-4-hydroxybenzohydrazide has a molecular weight of 167.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxybenzohydrazide is sourced from PubChem (CID 585879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).