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

C17H15BrN4O2 — CID 2793044

IUPAC5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1ccc2ccccc2c1C=NNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C17H15BrN4O2/c1-2-24-15-8-7-11-5-3-4-6-12(11)13(15)9-19-21-14-10-20-22-17(23)16(14)18/h3-10H,2H2,1H3,(H2,21,22,23)
InChIKeyFMUVJHSYKYTGBV-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.53
Rot. Bonds5

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

5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 2793044) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID2793044
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1ccc2ccccc2c1C=NNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C17H15BrN4O2/c1-2-24-15-8-7-11-5-3-4-6-12(11)13(15)9-19-21-14-10-20-22-17(23)16(14)18/h3-10H,2H2,1H3,(H2,21,22,23)
InChIKeyFMUVJHSYKYTGBV-UHFFFAOYSA-N
XLogP3.53
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.53
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-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7200282
5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 71967341
5-bromo-4-[(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 42558341
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 136786987
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
5-chloro-4-[(2E)-2-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338972
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]propanamide
CID 110511591
4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983110
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538082
5-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 2793044) is 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one is CCOc1ccc2ccccc2c1C=NNc1cn[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is FMUVJHSYKYTGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-2-24-15-8-7-11-5-3-4-6-12(11)13(15)9-19-21-14-10-20-22-17(23)16(14)18/h3-10H,2H2,1H3,(H2,21,22,23).
What are the key properties of 5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 387.24 g/mol, XLogP of 3.53, 5 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-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2793044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).