[4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium

C15H10N3O3Re2- — CID 147338536

IUPAC[4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium
SMILES[NH-]C(=O)Oc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.[Re].[Re]
InChIInChI=1S/C15H11N3O3.2Re/c16-15(20)21-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(19)18-17-13;;/h1-8H,(H3,16,18,19,20);;/p-1
InChIKeyWSUMZVHVDIOGDJ-UHFFFAOYSA-M
MW652.68 g/mol
LogP3.14
Rot. Bonds2

About [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium

[4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium (PubChem CID 147338536) has the molecular formula C15H10N3O3Re2- and a molecular weight of 652.68 g/mol. Its IUPAC name is [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium.

Molecular Properties

Compound Name[4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium
PubChem CID147338536
Molecular FormulaC15H10N3O3Re2-
Molecular Weight652.68 g/mol
Exact Mass653.98
IUPAC Name[4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium
SMILES[NH-]C(=O)Oc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.[Re].[Re]
InChIInChI=1S/C15H11N3O3.2Re/c16-15(20)21-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(19)18-17-13;;/h1-8H,(H3,16,18,19,20);;/p-1
InChIKeyWSUMZVHVDIOGDJ-UHFFFAOYSA-M
XLogP3.14
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.68
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221
2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)benzoic acid
CID 175396474
5-(4-oxo-3H-phthalazin-1-yl)thiophene-2-carboxylic acid
CID 10333419
4-[4-[(2-hydroxy-3-phenylpropyl)amino]phenyl]-2H-phthalazin-1-one
CID 139531391
4-(3,4-difluorophenyl)-2H-phthalazin-1-one
CID 28805276
4-(4-hydroxy-3-sulfanyloxyperoxyphenyl)-2H-phthalazin-1-one
CID 135991549
4-(3,5-dichlorophenyl)-2H-phthalazin-1-one
CID 2824608
4-(4-butylphenyl)-2H-phthalazin-1-one
CID 28901933
2-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 118600298
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007
3-(4-oxo-3H-phthalazine-1-carbonyl)oxybenzoic acid
CID 71564579

Frequently Asked Questions

What is the IUPAC name of [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium?
The IUPAC name of [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium (CID 147338536) is [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium.
What is the SMILES notation for [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium?
The canonical SMILES for [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium is [NH-]C(=O)Oc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.[Re].[Re].
What is the InChIKey of [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium?
The InChIKey is WSUMZVHVDIOGDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N3O3.2Re/c16-15(20)21-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(19)18-17-13;;/h1-8H,(H3,16,18,19,20);;/p-1.
What are the key properties of [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium?
[4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium has a molecular weight of 652.68 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-oxo-3H-phthalazin-1-yl)phenoxy]carbonylazanide;rhenium is sourced from PubChem (CID 147338536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).