3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine

C13H9N5O3 — CID 19095563

IUPAC3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine
SMILESO=[N+]([O-])c1cccc(Oc2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C13H9N5O3/c19-18(20)10-2-1-3-11(8-10)21-13-5-4-12(15-16-13)17-7-6-14-9-17/h1-9H
InChIKeyYFPZJXSPVUVJQJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.36
Rot. Bonds4

About 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine

3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine (PubChem CID 19095563) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine.

Molecular Properties

Compound Name3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine
PubChem CID19095563
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Name3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine
SMILESO=[N+]([O-])c1cccc(Oc2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C13H9N5O3/c19-18(20)10-2-1-3-11(8-10)21-13-5-4-12(15-16-13)17-7-6-14-9-17/h1-9H
InChIKeyYFPZJXSPVUVJQJ-UHFFFAOYSA-N
XLogP2.36
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122306496
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90539348
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
4-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
1-(3-fluorophenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122306416
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
CID 121114108
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine?
The IUPAC name of 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine (CID 19095563) is 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine.
What is the SMILES notation for 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine?
The canonical SMILES for 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine is O=[N+]([O-])c1cccc(Oc2ccc(-n3ccnc3)nn2)c1.
What is the InChIKey of 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine?
The InChIKey is YFPZJXSPVUVJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3/c19-18(20)10-2-1-3-11(8-10)21-13-5-4-12(15-16-13)17-7-6-14-9-17/h1-9H.
What are the key properties of 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine?
3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine has a molecular weight of 283.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6-(3-nitrophenoxy)pyridazine is sourced from PubChem (CID 19095563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).