cinnolin-4-ylhydrazine

C8H8N4 — CID 39733519

IUPACcinnolin-4-ylhydrazine
SMILESNNc1cnnc2ccccc12
InChIInChI=1S/C8H8N4/c9-11-8-5-10-12-7-4-2-1-3-6(7)8/h1-5H,9H2,(H,11,12)
InChIKeyHALUISOIGGICEW-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.92
Rot. Bonds1

About cinnolin-4-ylhydrazine

cinnolin-4-ylhydrazine (PubChem CID 39733519) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is cinnolin-4-ylhydrazine.

Molecular Properties

Compound Namecinnolin-4-ylhydrazine
PubChem CID39733519
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Namecinnolin-4-ylhydrazine
SMILESNNc1cnnc2ccccc12
InChIInChI=1S/C8H8N4/c9-11-8-5-10-12-7-4-2-1-3-6(7)8/h1-5H,9H2,(H,11,12)
InChIKeyHALUISOIGGICEW-UHFFFAOYSA-N
XLogP0.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 cinnolin-4-ylhydrazine?
The IUPAC name of cinnolin-4-ylhydrazine (CID 39733519) is cinnolin-4-ylhydrazine.
What is the SMILES notation for cinnolin-4-ylhydrazine?
The canonical SMILES for cinnolin-4-ylhydrazine is NNc1cnnc2ccccc12.
What is the InChIKey of cinnolin-4-ylhydrazine?
The InChIKey is HALUISOIGGICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-11-8-5-10-12-7-4-2-1-3-6(7)8/h1-5H,9H2,(H,11,12).
What are the key properties of cinnolin-4-ylhydrazine?
cinnolin-4-ylhydrazine has a molecular weight of 160.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-4-ylhydrazine is sourced from PubChem (CID 39733519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).