4-(diethylamino)benzohydrazide

C11H17N3O — CID 2063864

IUPAC4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyPUNSOBLTEWFAMJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.14
Rot. Bonds4

About 4-(diethylamino)benzohydrazide

4-(diethylamino)benzohydrazide (PubChem CID 2063864) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(diethylamino)benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)benzohydrazide
PubChem CID2063864
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyPUNSOBLTEWFAMJ-UHFFFAOYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 4-(diethylamino)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)benzohydrazide?
The IUPAC name of 4-(diethylamino)benzohydrazide (CID 2063864) is 4-(diethylamino)benzohydrazide.
What is the SMILES notation for 4-(diethylamino)benzohydrazide?
The canonical SMILES for 4-(diethylamino)benzohydrazide is CCN(CC)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(diethylamino)benzohydrazide?
The InChIKey is PUNSOBLTEWFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15).
What are the key properties of 4-(diethylamino)benzohydrazide?
4-(diethylamino)benzohydrazide has a molecular weight of 207.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)benzohydrazide is sourced from PubChem (CID 2063864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).