4-hydrazinyl-1H-quinazolin-2-one

C8H8N4O — CID 66485278

IUPAC4-hydrazinyl-1H-quinazolin-2-one
SMILESNNc1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C8H8N4O/c9-12-7-5-3-1-2-4-6(5)10-8(13)11-7/h1-4H,9H2,(H2,10,11,12,13)
InChIKeyGTRILPUYZFUVNY-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.21
Rot. Bonds1

About 4-hydrazinyl-1H-quinazolin-2-one

4-hydrazinyl-1H-quinazolin-2-one (PubChem CID 66485278) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-hydrazinyl-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-hydrazinyl-1H-quinazolin-2-one
PubChem CID66485278
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-hydrazinyl-1H-quinazolin-2-one
SMILESNNc1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C8H8N4O/c9-12-7-5-3-1-2-4-6(5)10-8(13)11-7/h1-4H,9H2,(H2,10,11,12,13)
InChIKeyGTRILPUYZFUVNY-UHFFFAOYSA-N
XLogP0.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.21
H-Bond Donors ≤ 53
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 4-hydrazinyl-1H-quinazolin-2-one?
The IUPAC name of 4-hydrazinyl-1H-quinazolin-2-one (CID 66485278) is 4-hydrazinyl-1H-quinazolin-2-one.
What is the SMILES notation for 4-hydrazinyl-1H-quinazolin-2-one?
The canonical SMILES for 4-hydrazinyl-1H-quinazolin-2-one is NNc1nc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-hydrazinyl-1H-quinazolin-2-one?
The InChIKey is GTRILPUYZFUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-12-7-5-3-1-2-4-6(5)10-8(13)11-7/h1-4H,9H2,(H2,10,11,12,13).
What are the key properties of 4-hydrazinyl-1H-quinazolin-2-one?
4-hydrazinyl-1H-quinazolin-2-one has a molecular weight of 176.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-1H-quinazolin-2-one is sourced from PubChem (CID 66485278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).