pyridine-4-carbohydrazide;trihydrate;hydrochloride

C6H14ClN3O4 — CID 67630424

IUPACpyridine-4-carbohydrazide;trihydrate;hydrochloride
SMILESCl.NNC(=O)c1ccncc1.O.O.O
InChIInChI=1S/C6H7N3O.ClH.3H2O/c7-9-6(10)5-1-3-8-4-2-5;;;;/h1-4H,7H2,(H,9,10);1H;3*1H2
InChIKeyKZVVFOJOTMRTLJ-UHFFFAOYSA-N
MW227.65 g/mol
LogP-2.37
Rot. Bonds1

About pyridine-4-carbohydrazide;trihydrate;hydrochloride

pyridine-4-carbohydrazide;trihydrate;hydrochloride (PubChem CID 67630424) has the molecular formula C6H14ClN3O4 and a molecular weight of 227.65 g/mol. Its IUPAC name is pyridine-4-carbohydrazide;trihydrate;hydrochloride.

Molecular Properties

Compound Namepyridine-4-carbohydrazide;trihydrate;hydrochloride
PubChem CID67630424
Molecular FormulaC6H14ClN3O4
Molecular Weight227.65 g/mol
Exact Mass227.07
IUPAC Namepyridine-4-carbohydrazide;trihydrate;hydrochloride
SMILESCl.NNC(=O)c1ccncc1.O.O.O
InChIInChI=1S/C6H7N3O.ClH.3H2O/c7-9-6(10)5-1-3-8-4-2-5;;;;/h1-4H,7H2,(H,9,10);1H;3*1H2
InChIKeyKZVVFOJOTMRTLJ-UHFFFAOYSA-N
XLogP-2.37
TPSA162.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 5-2.37
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'}

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Frequently Asked Questions

What is the IUPAC name of pyridine-4-carbohydrazide;trihydrate;hydrochloride?
The IUPAC name of pyridine-4-carbohydrazide;trihydrate;hydrochloride (CID 67630424) is pyridine-4-carbohydrazide;trihydrate;hydrochloride.
What is the SMILES notation for pyridine-4-carbohydrazide;trihydrate;hydrochloride?
The canonical SMILES for pyridine-4-carbohydrazide;trihydrate;hydrochloride is Cl.NNC(=O)c1ccncc1.O.O.O.
What is the InChIKey of pyridine-4-carbohydrazide;trihydrate;hydrochloride?
The InChIKey is KZVVFOJOTMRTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.ClH.3H2O/c7-9-6(10)5-1-3-8-4-2-5;;;;/h1-4H,7H2,(H,9,10);1H;3*1H2.
What are the key properties of pyridine-4-carbohydrazide;trihydrate;hydrochloride?
pyridine-4-carbohydrazide;trihydrate;hydrochloride has a molecular weight of 227.65 g/mol, XLogP of -2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-4-carbohydrazide;trihydrate;hydrochloride is sourced from PubChem (CID 67630424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).