5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C16H13BrN4O2 — CID 7200282

IUPAC5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccc2ccccc2c1C=NNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C16H13BrN4O2/c1-23-14-7-6-10-4-2-3-5-11(10)12(14)8-18-20-13-9-19-21-16(22)15(13)17/h2-9H,1H3,(H2,20,21,22)
InChIKeyHIUNQQKRXDTWCO-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.14
Rot. Bonds4

About 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 7200282) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID7200282
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccc2ccccc2c1C=NNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C16H13BrN4O2/c1-23-14-7-6-10-4-2-3-5-11(10)12(14)8-18-20-13-9-19-21-16(22)15(13)17/h2-9H,1H3,(H2,20,21,22)
InChIKeyHIUNQQKRXDTWCO-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.14
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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Related Compounds

5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2793044
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
5-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 2791357
5-bromo-4-[(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 42558341
6-tert-butyl-5-[(2E)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110514579
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787623
5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 71967341
4-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 112537903
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7200245
7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
CID 6181870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 7200282) is 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one is COc1ccc2ccccc2c1C=NNc1cn[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is HIUNQQKRXDTWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-23-14-7-6-10-4-2-3-5-11(10)12(14)8-18-20-13-9-19-21-16(22)15(13)17/h2-9H,1H3,(H2,20,21,22).
What are the key properties of 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 373.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 7200282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).