N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide

C12H9FN6O — CID 62235962

IUPACN-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1ccc(NN)nn1
InChIInChI=1S/C12H9FN6O/c13-8-2-1-3-9(7(8)6-14)16-12(20)10-4-5-11(17-15)19-18-10/h1-5H,15H2,(H,16,20)(H,17,19)
InChIKeyXOZNLNYSTDEWMT-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.03
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide

N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 62235962) has the molecular formula C12H9FN6O and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
PubChem CID62235962
Molecular FormulaC12H9FN6O
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC NameN-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1ccc(NN)nn1
InChIInChI=1S/C12H9FN6O/c13-8-2-1-3-9(7(8)6-14)16-12(20)10-4-5-11(17-15)19-18-10/h1-5H,15H2,(H,16,20)(H,17,19)
InChIKeyXOZNLNYSTDEWMT-UHFFFAOYSA-N
XLogP1.03
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-cyano-3-fluorophenyl)pyridazine-3-carboxamide
CID 62155166
N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62169600
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
N-(2-cyano-3-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071575
N-(2-cyano-3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62240838
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
6-hydrazinyl-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 62243106
N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide (CID 62235962) is N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide is N#Cc1c(F)cccc1NC(=O)c1ccc(NN)nn1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is XOZNLNYSTDEWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6O/c13-8-2-1-3-9(7(8)6-14)16-12(20)10-4-5-11(17-15)19-18-10/h1-5H,15H2,(H,16,20)(H,17,19).
What are the key properties of N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide?
N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 272.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 62235962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).