6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide

C15H12N6O4 — CID 121114108

IUPAC6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H12N6O4/c1-25-13-4-2-10(21(23)24)8-12(13)17-15(22)11-3-5-14(19-18-11)20-7-6-16-9-20/h2-9H,1H3,(H,17,22)
InChIKeyXSVYFAMAODMBCT-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.83
Rot. Bonds5

About 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide

6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide (PubChem CID 121114108) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
PubChem CID121114108
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H12N6O4/c1-25-13-4-2-10(21(23)24)8-12(13)17-15(22)11-3-5-14(19-18-11)20-7-6-16-9-20/h2-9H,1H3,(H,17,22)
InChIKeyXSVYFAMAODMBCT-UHFFFAOYSA-N
XLogP1.83
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methoxy-5-nitrophenyl)piperidine-3-carboxamide
CID 90514827
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate
CID 139434633
4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 156578791
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
1-(2-methoxy-4-nitrophenyl)imidazole
CID 22459644
methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
CID 156578747
N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028198
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
CID 62240083
2-(3-imidazol-1-ylpropylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17066757

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide (CID 121114108) is 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide?
The InChIKey is XSVYFAMAODMBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4/c1-25-13-4-2-10(21(23)24)8-12(13)17-15(22)11-3-5-14(19-18-11)20-7-6-16-9-20/h2-9H,1H3,(H,17,22).
What are the key properties of 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide?
6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 121114108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).