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

C13H11ClN4O3 — CID 4875579

IUPACN'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C13H11ClN4O3/c1-18-11(19)6-5-10(17-18)13(21)16-15-12(20)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,20)(H,16,21)
InChIKeyMZJLPPSTBCVBAQ-UHFFFAOYSA-N
MW306.71 g/mol
LogP0.51
Rot. Bonds2

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

N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (PubChem CID 4875579) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
PubChem CID4875579
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC NameN'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C13H11ClN4O3/c1-18-11(19)6-5-10(17-18)13(21)16-15-12(20)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,20)(H,16,21)
InChIKeyMZJLPPSTBCVBAQ-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'}

Analyze N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide (CID 4875579) is N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
The InChIKey is MZJLPPSTBCVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-18-11(19)6-5-10(17-18)13(21)16-15-12(20)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,20)(H,16,21).
What are the key properties of N'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide?
N'-(3-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'-(3-chlorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 4875579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).