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

C19H15ClN4O3 — CID 9086701

IUPACN'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C19H15ClN4O3/c1-12-10-16(25)17(23-24(12)15-8-3-2-4-9-15)19(27)22-21-18(26)13-6-5-7-14(20)11-13/h2-11H,1H3,(H,21,26)(H,22,27)
InChIKeyXIAHYAOCSICGHS-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.27
Rot. Bonds3

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

N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (PubChem CID 9086701) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
PubChem CID9086701
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC NameN'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C19H15ClN4O3/c1-12-10-16(25)17(23-24(12)15-8-3-2-4-9-15)19(27)22-21-18(26)13-6-5-7-14(20)11-13/h2-11H,1H3,(H,21,26)(H,22,27)
InChIKeyXIAHYAOCSICGHS-UHFFFAOYSA-N
XLogP2.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide (CID 9086701) is N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide is Cc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)nn1-c1ccccc1.
What is the InChIKey of N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
The InChIKey is XIAHYAOCSICGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-12-10-16(25)17(23-24(12)15-8-3-2-4-9-15)19(27)22-21-18(26)13-6-5-7-14(20)11-13/h2-11H,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide?
N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide has a molecular weight of 382.81 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide is sourced from PubChem (CID 9086701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).