2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine

C15H19N7O — CID 177328930

IUPAC2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine
SMILES[H]/N=N/n1nc(N2CCN(c3ccccc3OC)CC2)cc/c1=N\[H]
InChIInChI=1S/C15H19N7O/c1-23-13-5-3-2-4-12(13)20-8-10-21(11-9-20)15-7-6-14(16)22(18-15)19-17/h2-7,16-17H,8-11H2,1H3/b16-14+,19-17+
InChIKeyOQKCHMNBSHWWMX-VCDHSRODSA-N
MW313.37 g/mol
LogP1.49
Rot. Bonds4

About 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine

2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine (PubChem CID 177328930) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine.

Molecular Properties

Compound Name2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine
PubChem CID177328930
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine
SMILES[H]/N=N/n1nc(N2CCN(c3ccccc3OC)CC2)cc/c1=N\[H]
InChIInChI=1S/C15H19N7O/c1-23-13-5-3-2-4-12(13)20-8-10-21(11-9-20)15-7-6-14(16)22(18-15)19-17/h2-7,16-17H,8-11H2,1H3/b16-14+,19-17+
InChIKeyOQKCHMNBSHWWMX-VCDHSRODSA-N
XLogP1.49
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazine-6-thione
CID 50743559
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 59020784
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
CID 176933740
6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 53003918
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
CID 19104384
CID 19104384
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53023459
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-one
CID 53023453

Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine?
The IUPAC name of 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine (CID 177328930) is 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine.
What is the SMILES notation for 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine?
The canonical SMILES for 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine is [H]/N=N/n1nc(N2CCN(c3ccccc3OC)CC2)cc/c1=N\[H].
What is the InChIKey of 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine?
The InChIKey is OQKCHMNBSHWWMX-VCDHSRODSA-N. The full InChI is InChI=1S/C15H19N7O/c1-23-13-5-3-2-4-12(13)20-8-10-21(11-9-20)15-7-6-14(16)22(18-15)19-17/h2-7,16-17H,8-11H2,1H3/b16-14+,19-17+.
What are the key properties of 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine?
2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine has a molecular weight of 313.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-imine is sourced from PubChem (CID 177328930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).