6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine

C14H12FN3O — CID 114734957

IUPAC6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
SMILESCc1c(N)nnc(-c2cc3cccc(F)c3o2)c1C
InChIInChI=1S/C14H12FN3O/c1-7-8(2)14(16)18-17-12(7)11-6-9-4-3-5-10(15)13(9)19-11/h3-6H,1-2H3,(H2,16,18)
InChIKeyKQIPPWGVLIOUSL-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.23
Rot. Bonds1

About 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine

6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine (PubChem CID 114734957) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
PubChem CID114734957
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
SMILESCc1c(N)nnc(-c2cc3cccc(F)c3o2)c1C
InChIInChI=1S/C14H12FN3O/c1-7-8(2)14(16)18-17-12(7)11-6-9-4-3-5-10(15)13(9)19-11/h3-6H,1-2H3,(H2,16,18)
InChIKeyKQIPPWGVLIOUSL-UHFFFAOYSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106521910
5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734623
2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
CID 114734322
3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521879
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114734919
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine (CID 114734957) is 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine is Cc1c(N)nnc(-c2cc3cccc(F)c3o2)c1C.
What is the InChIKey of 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is KQIPPWGVLIOUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-7-8(2)14(16)18-17-12(7)11-6-9-4-3-5-10(15)13(9)19-11/h3-6H,1-2H3,(H2,16,18).
What are the key properties of 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine?
6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 257.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 114734957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).