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

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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).