6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide

C11H8F2N4O — CID 55041797

IUPAC6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc(F)c2F)nn1
InChIInChI=1S/C11H8F2N4O/c12-6-2-1-3-7(10(6)13)15-11(18)8-4-5-9(14)17-16-8/h1-5H,(H2,14,17)(H,15,18)
InChIKeySYXWWYMBBNJCFJ-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.59
Rot. Bonds2

About 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide

6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide (PubChem CID 55041797) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide
PubChem CID55041797
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc(F)c2F)nn1
InChIInChI=1S/C11H8F2N4O/c12-6-2-1-3-7(10(6)13)15-11(18)8-4-5-9(14)17-16-8/h1-5H,(H2,14,17)(H,15,18)
InChIKeySYXWWYMBBNJCFJ-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide (CID 55041797) is 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide is Nc1ccc(C(=O)Nc2cccc(F)c2F)nn1.
What is the InChIKey of 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide?
The InChIKey is SYXWWYMBBNJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c12-6-2-1-3-7(10(6)13)15-11(18)8-4-5-9(14)17-16-8/h1-5H,(H2,14,17)(H,15,18).
What are the key properties of 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide?
6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide has a molecular weight of 250.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55041797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).