6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide

C14H13Cl3N4O2 — CID 34933662

IUPAC6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide
SMILESCCCn1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1=O
InChIInChI=1S/C14H13Cl3N4O2/c1-2-5-21-12(22)4-3-11(20-21)14(23)19-18-13-9(16)6-8(15)7-10(13)17/h3-4,6-7,18H,2,5H2,1H3,(H,19,23)
InChIKeyJODOSKJLRUZVMR-UHFFFAOYSA-N
MW375.64 g/mol
LogP3.37
Rot. Bonds5

About 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide

6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide (PubChem CID 34933662) has the molecular formula C14H13Cl3N4O2 and a molecular weight of 375.64 g/mol. Its IUPAC name is 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide.

Molecular Properties

Compound Name6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide
PubChem CID34933662
Molecular FormulaC14H13Cl3N4O2
Molecular Weight375.64 g/mol
Exact Mass374.01
IUPAC Name6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide
SMILESCCCn1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1=O
InChIInChI=1S/C14H13Cl3N4O2/c1-2-5-21-12(22)4-3-11(20-21)14(23)19-18-13-9(16)6-8(15)7-10(13)17/h3-4,6-7,18H,2,5H2,1H3,(H,19,23)
InChIKeyJODOSKJLRUZVMR-UHFFFAOYSA-N
XLogP3.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 53.37
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-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730757
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 78927502
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide?
The IUPAC name of 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide (CID 34933662) is 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide.
What is the SMILES notation for 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide?
The canonical SMILES for 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide is CCCn1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide?
The InChIKey is JODOSKJLRUZVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N4O2/c1-2-5-21-12(22)4-3-11(20-21)14(23)19-18-13-9(16)6-8(15)7-10(13)17/h3-4,6-7,18H,2,5H2,1H3,(H,19,23).
What are the key properties of 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide?
6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide has a molecular weight of 375.64 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide is sourced from PubChem (CID 34933662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).