3-benzhydryloxy-6-nitropyridazine

C17H13N3O3 — CID 159061527

IUPAC3-benzhydryloxy-6-nitropyridazine
SMILESO=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C17H13N3O3/c21-20(22)15-11-12-16(19-18-15)23-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H
InChIKeyJYNJVFYXGBAYTG-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.55
Rot. Bonds5

About 3-benzhydryloxy-6-nitropyridazine

3-benzhydryloxy-6-nitropyridazine (PubChem CID 159061527) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-benzhydryloxy-6-nitropyridazine.

Molecular Properties

Compound Name3-benzhydryloxy-6-nitropyridazine
PubChem CID159061527
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name3-benzhydryloxy-6-nitropyridazine
SMILESO=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C17H13N3O3/c21-20(22)15-11-12-16(19-18-15)23-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H
InChIKeyJYNJVFYXGBAYTG-UHFFFAOYSA-N
XLogP3.55
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryloxy-4-nitrobenzene
CID 7434051
1-(2-benzhydryloxyethyl)-2-methyl-4-nitroimidazole
CID 5279047
6-benzhydryloxypyridin-2-amine
CID 175432192
5-(3-benzhydryloxy-5-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 141440436
3-methoxy-6-[methoxy(phenyl)methyl]pyridazine
CID 15684260
1-bromo-3-[[(3-bromo-5-nitrophenyl)-phenylmethoxy]-phenylmethyl]-5-nitrobenzene
CID 163366418
[(4-nitrophenyl)-phenylmethoxy] hydrogen carbonate
CID 19760090
[phenyl(sulfanyloxy)methyl]benzene
CID 87556595
nitro (2R)-2-hydroxy-2-phenylacetate
CID 174469907
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
O-[nitro(phenyl)methyl]hydroxylamine
CID 18508857
5-nitro-6-(1-phenylethoxy)pyridin-2-amine
CID 80860724

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-6-nitropyridazine?
The IUPAC name of 3-benzhydryloxy-6-nitropyridazine (CID 159061527) is 3-benzhydryloxy-6-nitropyridazine.
What is the SMILES notation for 3-benzhydryloxy-6-nitropyridazine?
The canonical SMILES for 3-benzhydryloxy-6-nitropyridazine is O=[N+]([O-])c1ccc(OC(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of 3-benzhydryloxy-6-nitropyridazine?
The InChIKey is JYNJVFYXGBAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-20(22)15-11-12-16(19-18-15)23-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H.
What are the key properties of 3-benzhydryloxy-6-nitropyridazine?
3-benzhydryloxy-6-nitropyridazine has a molecular weight of 307.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-6-nitropyridazine is sourced from PubChem (CID 159061527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).