N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide

C14H12Cl2N4O3 — CID 24654572

IUPACN'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)C2CC2(Cl)Cl)c2ccccc2c1=O
InChIInChI=1S/C14H12Cl2N4O3/c1-20-13(23)8-5-3-2-4-7(8)10(19-20)12(22)18-17-11(21)9-6-14(9,15)16/h2-5,9H,6H2,1H3,(H,17,21)(H,18,22)
InChIKeyWVAGIAGKLXXLKC-UHFFFAOYSA-N
MW355.18 g/mol
LogP0.89
Rot. Bonds2

About N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide

N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 24654572) has the molecular formula C14H12Cl2N4O3 and a molecular weight of 355.18 g/mol. Its IUPAC name is N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
PubChem CID24654572
Molecular FormulaC14H12Cl2N4O3
Molecular Weight355.18 g/mol
Exact Mass354.03
IUPAC NameN'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)C2CC2(Cl)Cl)c2ccccc2c1=O
InChIInChI=1S/C14H12Cl2N4O3/c1-20-13(23)8-5-3-2-4-7(8)10(19-20)12(22)18-17-11(21)9-6-14(9,15)16/h2-5,9H,6H2,1H3,(H,17,21)(H,18,22)
InChIKeyWVAGIAGKLXXLKC-UHFFFAOYSA-N
XLogP0.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 32821618
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
7a-methyl-N'-(3-methyl-4-oxophthalazine-1-carbonyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
CID 24982521
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192
N'-(4-chloro-3-iodobenzoyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 60520758
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2677364
3-methyl-N'-[(2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carbonyl]-4-oxophthalazine-1-carbohydrazide
CID 27564604
N'-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 41101538
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 51552973

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide (CID 24654572) is N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)C2CC2(Cl)Cl)c2ccccc2c1=O.
What is the InChIKey of N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is WVAGIAGKLXXLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O3/c1-20-13(23)8-5-3-2-4-7(8)10(19-20)12(22)18-17-11(21)9-6-14(9,15)16/h2-5,9H,6H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide?
N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 355.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dichlorocyclopropanecarbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 24654572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).