N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

C15H11FN6O3 — CID 121114348

IUPACN-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1
InChIInChI=1S/C15H11FN6O3/c1-9-17-6-7-21(9)14-5-4-12(19-20-14)15(23)18-10-2-3-11(16)13(8-10)22(24)25/h2-8H,1H3,(H,18,23)
InChIKeyWLNZOMRPWNYYSM-UHFFFAOYSA-N
MW342.29 g/mol
LogP2.27
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (PubChem CID 121114348) has the molecular formula C15H11FN6O3 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
PubChem CID121114348
Molecular FormulaC15H11FN6O3
Molecular Weight342.29 g/mol
Exact Mass342.09
IUPAC NameN-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1
InChIInChI=1S/C15H11FN6O3/c1-9-17-6-7-21(9)14-5-4-12(19-20-14)15(23)18-10-2-3-11(16)13(8-10)22(24)25/h2-8H,1H3,(H,18,23)
InChIKeyWLNZOMRPWNYYSM-UHFFFAOYSA-N
XLogP2.27
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (CID 121114348) is N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is WLNZOMRPWNYYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O3/c1-9-17-6-7-21(9)14-5-4-12(19-20-14)15(23)18-10-2-3-11(16)13(8-10)22(24)25/h2-8H,1H3,(H,18,23).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
N-(4-fluoro-3-nitrophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 342.29 g/mol, XLogP of 2.27, 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-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 121114348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).