N-cinnolin-4-ylhydroxylamine

C8H7N3O — CID 595235

IUPACN-cinnolin-4-ylhydroxylamine
SMILESONc1cnnc2ccccc12
InChIInChI=1S/C8H7N3O/c12-11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5,12H,(H,10,11)
InChIKeyFUQBRNQHPNOSIS-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.43
Rot. Bonds1

About N-cinnolin-4-ylhydroxylamine

N-cinnolin-4-ylhydroxylamine (PubChem CID 595235) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is N-cinnolin-4-ylhydroxylamine.

Molecular Properties

Compound NameN-cinnolin-4-ylhydroxylamine
PubChem CID595235
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC NameN-cinnolin-4-ylhydroxylamine
SMILESONc1cnnc2ccccc12
InChIInChI=1S/C8H7N3O/c12-11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5,12H,(H,10,11)
InChIKeyFUQBRNQHPNOSIS-UHFFFAOYSA-N
XLogP1.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cinnolin-4-ylhydroxylamine?
The IUPAC name of N-cinnolin-4-ylhydroxylamine (CID 595235) is N-cinnolin-4-ylhydroxylamine.
What is the SMILES notation for N-cinnolin-4-ylhydroxylamine?
The canonical SMILES for N-cinnolin-4-ylhydroxylamine is ONc1cnnc2ccccc12.
What is the InChIKey of N-cinnolin-4-ylhydroxylamine?
The InChIKey is FUQBRNQHPNOSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5,12H,(H,10,11).
What are the key properties of N-cinnolin-4-ylhydroxylamine?
N-cinnolin-4-ylhydroxylamine has a molecular weight of 161.16 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cinnolin-4-ylhydroxylamine is sourced from PubChem (CID 595235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).