N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide

C13H11ClN4O3 — CID 24979407

IUPACN'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C13H11ClN4O3/c1-18-11(19)7-6-10(17-18)13(21)16-15-12(20)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,20)(H,16,21)
InChIKeySDKKPAZNHBAUII-UHFFFAOYSA-N
MW306.71 g/mol
LogP0.51
Rot. Bonds2

About N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide

N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (PubChem CID 24979407) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
PubChem CID24979407
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC NameN'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C13H11ClN4O3/c1-18-11(19)7-6-10(17-18)13(21)16-15-12(20)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,20)(H,16,21)
InChIKeySDKKPAZNHBAUII-UHFFFAOYSA-N
XLogP0.51
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-(4-chlorophenyl)methylidene]benzohydrazide
CID 6861534
1-Benzoyl-2-(4-chlorobenzoyl)hydrazine
CID 256404
N'-butyl-4-chlorobenzohydrazide
CID 54316037
4-chloro-N'-cyclopentylidenebenzohydrazide
CID 774234
3-chloro-N',N'-dimethylbenzohydrazide
CID 828381
1-(p-Chlorobenzoyl)-2-isopropylhydrazine
CID 88063
1,2-Bis(4-chlorobenzoyl)-hydrazine
CID 246843
4-chloro-N'-(3-methylbutanoyl)benzohydrazide
CID 3139682
4-chloro-N'-[(2E,3E)-4-(2-fluorophenyl)but-3-en-2-ylidene]benzohydrazide
CID 5752552
4-chloro-N'-(2-methylpropylidene)benzohydrazide
CID 9556855
N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 4875579
4-chloro-N'-(2-ethylcyclopentylidene)benzohydrazide
CID 9616032

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (CID 24979407) is N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The InChIKey is SDKKPAZNHBAUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-18-11(19)7-6-10(17-18)13(21)16-15-12(20)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,20)(H,16,21).
What are the key properties of N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide has a molecular weight of 306.71 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 24979407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).