pyridazine-4-carbohydrazide;hydrochloride

C5H7ClN4O — CID 122236542

IUPACpyridazine-4-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccnnc1
InChIInChI=1S/C5H6N4O.ClH/c6-9-5(10)4-1-2-7-8-3-4;/h1-3H,6H2,(H,9,10);1H
InChIKeyTZEHWFXOEMIHJK-UHFFFAOYSA-N
MW174.59 g/mol
LogP-0.50
Rot. Bonds1

About pyridazine-4-carbohydrazide;hydrochloride

pyridazine-4-carbohydrazide;hydrochloride (PubChem CID 122236542) has the molecular formula C5H7ClN4O and a molecular weight of 174.59 g/mol. Its IUPAC name is pyridazine-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Namepyridazine-4-carbohydrazide;hydrochloride
PubChem CID122236542
Molecular FormulaC5H7ClN4O
Molecular Weight174.59 g/mol
Exact Mass174.03
IUPAC Namepyridazine-4-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1ccnnc1
InChIInChI=1S/C5H6N4O.ClH/c6-9-5(10)4-1-2-7-8-3-4;/h1-3H,6H2,(H,9,10);1H
InChIKeyTZEHWFXOEMIHJK-UHFFFAOYSA-N
XLogP-0.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of pyridazine-4-carbohydrazide;hydrochloride?
The IUPAC name of pyridazine-4-carbohydrazide;hydrochloride (CID 122236542) is pyridazine-4-carbohydrazide;hydrochloride.
What is the SMILES notation for pyridazine-4-carbohydrazide;hydrochloride?
The canonical SMILES for pyridazine-4-carbohydrazide;hydrochloride is Cl.NNC(=O)c1ccnnc1.
What is the InChIKey of pyridazine-4-carbohydrazide;hydrochloride?
The InChIKey is TZEHWFXOEMIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O.ClH/c6-9-5(10)4-1-2-7-8-3-4;/h1-3H,6H2,(H,9,10);1H.
What are the key properties of pyridazine-4-carbohydrazide;hydrochloride?
pyridazine-4-carbohydrazide;hydrochloride has a molecular weight of 174.59 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 122236542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).