5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide

C13H13FN4O2 — CID 68894810

IUPAC5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide
SMILESCCn1nc(-c2cccc(F)c2)c(C(N)=O)c(N)c1=O
InChIInChI=1S/C13H13FN4O2/c1-2-18-13(20)10(15)9(12(16)19)11(17-18)7-4-3-5-8(14)6-7/h3-6H,2,15H2,1H3,(H2,16,19)
InChIKeyJSZQDBAFQVJEAT-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.75
Rot. Bonds3

About 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide

5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide (PubChem CID 68894810) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide
PubChem CID68894810
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide
SMILESCCn1nc(-c2cccc(F)c2)c(C(N)=O)c(N)c1=O
InChIInChI=1S/C13H13FN4O2/c1-2-18-13(20)10(15)9(12(16)19)11(17-18)7-4-3-5-8(14)6-7/h3-6H,2,15H2,1H3,(H2,16,19)
InChIKeyJSZQDBAFQVJEAT-UHFFFAOYSA-N
XLogP0.75
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide 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-acetyl-4-(3-bromoanilino)-2-ethyl-6-(3-fluorophenyl)pyridazin-3-one
CID 10094189
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
(5-amino-1-ethyl-6-oxo-3-phenylpyridazin-4-yl)methyl acetate
CID 68897694
5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one
CID 69154568
(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
CID 105079847
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
5-amino-1-(cyclopropylmethyl)-6-oxo-3-phenylpyridazine-4-carboxylic acid
CID 162624362
2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061928
5-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069162
1-ethyl-4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(1,1,2,2,2-pentafluoroethyl)pyrazole;methanol
CID 18993449

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide?
The IUPAC name of 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide (CID 68894810) is 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide.
What is the SMILES notation for 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide?
The canonical SMILES for 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide is CCn1nc(-c2cccc(F)c2)c(C(N)=O)c(N)c1=O.
What is the InChIKey of 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide?
The InChIKey is JSZQDBAFQVJEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-2-18-13(20)10(15)9(12(16)19)11(17-18)7-4-3-5-8(14)6-7/h3-6H,2,15H2,1H3,(H2,16,19).
What are the key properties of 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide?
5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(3-fluorophenyl)-6-oxopyridazine-4-carboxamide is sourced from PubChem (CID 68894810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).