3-amino-4-methoxybenzohydrazide

C8H11N3O2 — CID 23459017

IUPAC3-amino-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NN)cc1N
InChIInChI=1S/C8H11N3O2/c1-13-7-3-2-5(4-6(7)9)8(12)11-10/h2-4H,9-10H2,1H3,(H,11,12)
InChIKeyTVUXRFDIXMUZOD-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.12
Rot. Bonds2

About 3-amino-4-methoxybenzohydrazide

3-amino-4-methoxybenzohydrazide (PubChem CID 23459017) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-amino-4-methoxybenzohydrazide.

Molecular Properties

Compound Name3-amino-4-methoxybenzohydrazide
PubChem CID23459017
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-amino-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NN)cc1N
InChIInChI=1S/C8H11N3O2/c1-13-7-3-2-5(4-6(7)9)8(12)11-10/h2-4H,9-10H2,1H3,(H,11,12)
InChIKeyTVUXRFDIXMUZOD-UHFFFAOYSA-N
XLogP-0.12
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-4-methoxybenzohydrazide?
The IUPAC name of 3-amino-4-methoxybenzohydrazide (CID 23459017) is 3-amino-4-methoxybenzohydrazide.
What is the SMILES notation for 3-amino-4-methoxybenzohydrazide?
The canonical SMILES for 3-amino-4-methoxybenzohydrazide is COc1ccc(C(=O)NN)cc1N.
What is the InChIKey of 3-amino-4-methoxybenzohydrazide?
The InChIKey is TVUXRFDIXMUZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-7-3-2-5(4-6(7)9)8(12)11-10/h2-4H,9-10H2,1H3,(H,11,12).
What are the key properties of 3-amino-4-methoxybenzohydrazide?
3-amino-4-methoxybenzohydrazide has a molecular weight of 181.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxybenzohydrazide is sourced from PubChem (CID 23459017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).