5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one

C18H15ClN4O2 — CID 6154334

IUPAC5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccc(/C(=N/Nc2cn[nH]c(=O)c2Cl)c2ccccc2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-25-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)22-21-15-11-20-23-18(24)16(15)19/h2-11H,1H3,(H2,21,23,24)/b22-17+
InChIKeyZRWQOGISYNQENX-OQKWZONESA-N
MW354.80 g/mol
LogP3.30
Rot. Bonds5

About 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 6154334) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID6154334
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccc(/C(=N/Nc2cn[nH]c(=O)c2Cl)c2ccccc2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-25-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)22-21-15-11-20-23-18(24)16(15)19/h2-11H,1H3,(H2,21,23,24)/b22-17+
InChIKeyZRWQOGISYNQENX-OQKWZONESA-N
XLogP3.30
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one (CID 6154334) is 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one is COc1ccc(/C(=N/Nc2cn[nH]c(=O)c2Cl)c2ccccc2)cc1.
What is the InChIKey of 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is ZRWQOGISYNQENX-OQKWZONESA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)22-21-15-11-20-23-18(24)16(15)19/h2-11H,1H3,(H2,21,23,24)/b22-17+.
What are the key properties of 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 354.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2E)-2-[(4-methoxyphenyl)-phenylmethylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 6154334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).