N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide

C17H16N4O2 — CID 9163904

IUPACN',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
SMILESCN(C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C17H16N4O2/c1-20(2)19-16(22)15-13-10-6-7-11-14(13)17(23)21(18-15)12-8-4-3-5-9-12/h3-11H,1-2H3,(H,19,22)
InChIKeyQCHOJAVQTKZINP-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.59
Rot. Bonds3

About N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide

N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide (PubChem CID 9163904) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
PubChem CID9163904
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
SMILESCN(C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C17H16N4O2/c1-20(2)19-16(22)15-13-10-6-7-11-14(13)17(23)21(18-15)12-8-4-3-5-9-12/h3-11H,1-2H3,(H,19,22)
InChIKeyQCHOJAVQTKZINP-UHFFFAOYSA-N
XLogP1.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 2483637
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
4-oxo-3-phenyl-N-(1-pyridin-4-ylethyl)phthalazine-1-carboxamide
CID 51148760

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The IUPAC name of N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide (CID 9163904) is N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide.
What is the SMILES notation for N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The canonical SMILES for N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide is CN(C)NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The InChIKey is QCHOJAVQTKZINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-20(2)19-16(22)15-13-10-6-7-11-14(13)17(23)21(18-15)12-8-4-3-5-9-12/h3-11H,1-2H3,(H,19,22).
What are the key properties of N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide?
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide has a molecular weight of 308.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide is sourced from PubChem (CID 9163904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).