phthalazin-5-ylhydrazine

C8H8N4 — CID 119093508

IUPACphthalazin-5-ylhydrazine
SMILESNNc1cccc2cnncc12
InChIInChI=1S/C8H8N4/c9-12-8-3-1-2-6-4-10-11-5-7(6)8/h1-5,12H,9H2
InChIKeyOMBRKHLCZHSABX-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.92
Rot. Bonds1

About phthalazin-5-ylhydrazine

phthalazin-5-ylhydrazine (PubChem CID 119093508) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is phthalazin-5-ylhydrazine.

Molecular Properties

Compound Namephthalazin-5-ylhydrazine
PubChem CID119093508
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Namephthalazin-5-ylhydrazine
SMILESNNc1cccc2cnncc12
InChIInChI=1S/C8H8N4/c9-12-8-3-1-2-6-4-10-11-5-7(6)8/h1-5,12H,9H2
InChIKeyOMBRKHLCZHSABX-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 phthalazin-5-ylhydrazine?
The IUPAC name of phthalazin-5-ylhydrazine (CID 119093508) is phthalazin-5-ylhydrazine.
What is the SMILES notation for phthalazin-5-ylhydrazine?
The canonical SMILES for phthalazin-5-ylhydrazine is NNc1cccc2cnncc12.
What is the InChIKey of phthalazin-5-ylhydrazine?
The InChIKey is OMBRKHLCZHSABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-12-8-3-1-2-6-4-10-11-5-7(6)8/h1-5,12H,9H2.
What are the key properties of phthalazin-5-ylhydrazine?
phthalazin-5-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 phthalazin-5-ylhydrazine is sourced from PubChem (CID 119093508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).