N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

C14H9FN6O3 — CID 121114098

IUPACN-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C14H9FN6O3/c15-10-2-1-9(7-12(10)21(23)24)17-14(22)11-3-4-13(19-18-11)20-6-5-16-8-20/h1-8H,(H,17,22)
InChIKeyUMCTYWWTIBVPFA-UHFFFAOYSA-N
MW328.26 g/mol
LogP1.96
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 121114098) has the molecular formula C14H9FN6O3 and a molecular weight of 328.26 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID121114098
Molecular FormulaC14H9FN6O3
Molecular Weight328.26 g/mol
Exact Mass328.07
IUPAC NameN-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C14H9FN6O3/c15-10-2-1-9(7-12(10)21(23)24)17-14(22)11-3-4-13(19-18-11)20-6-5-16-8-20/h1-8H,(H,17,22)
InChIKeyUMCTYWWTIBVPFA-UHFFFAOYSA-N
XLogP1.96
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114348
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027923
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791741
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
4-[2-[4-carboxy-2-fluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]phenyl]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid
CID 167013408
6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
CID 121114108
lithium 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 139434655

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 121114098) is N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is UMCTYWWTIBVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN6O3/c15-10-2-1-9(7-12(10)21(23)24)17-14(22)11-3-4-13(19-18-11)20-6-5-16-8-20/h1-8H,(H,17,22).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 328.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121114098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).