5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate

C10H6N4O2 — CID 110272737

IUPAC5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate
SMILESN#[N+]c1c([O-])c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C10H6N4O2/c11-12-8-9(15)7(13-14-10(8)16)6-4-2-1-3-5-6/h1-5H,(H-,14,15,16)
InChIKeyFGTIFGVZUAWYDT-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.00
Rot. Bonds1

About 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate

5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate (PubChem CID 110272737) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate.

Molecular Properties

Compound Name5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate
PubChem CID110272737
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate
SMILESN#[N+]c1c([O-])c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C10H6N4O2/c11-12-8-9(15)7(13-14-10(8)16)6-4-2-1-3-5-6/h1-5H,(H-,14,15,16)
InChIKeyFGTIFGVZUAWYDT-UHFFFAOYSA-N
XLogP1.00
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-chloro-5-fluoro-3-phenyl-1H-pyridazin-6-one
CID 88667827
4-amino-5-nitroso-3-phenyl-1H-pyridazin-6-one
CID 10443288
6-phenyl-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaen-3-one
CID 24751534
6-chloro-4-phenyl-2H-phthalazin-1-one
CID 134109277
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
4-diazonio-3-phenyl-1,2-oxazol-5-olate
CID 582386
8-phenyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 59751944
2-amino-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 42281614
3-phenyl-1H-indazol-6-amine
CID 18616705
4-phenyl-2,6,7,8-tetrahydrocyclopenta[g]phthalazin-1-one
CID 15190690
silver 4-oxo-3H-phthalazin-1-olate
CID 90482828

Frequently Asked Questions

What is the IUPAC name of 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate?
The IUPAC name of 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate (CID 110272737) is 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate.
What is the SMILES notation for 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate?
The canonical SMILES for 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate is N#[N+]c1c([O-])c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate?
The InChIKey is FGTIFGVZUAWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c11-12-8-9(15)7(13-14-10(8)16)6-4-2-1-3-5-6/h1-5H,(H-,14,15,16).
What are the key properties of 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate?
5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate has a molecular weight of 214.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate is sourced from PubChem (CID 110272737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).