N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide

C8H11FN4O — CID 130504947

IUPACN-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCF)nn1
InChIInChI=1S/C8H11FN4O/c1-10-7-3-2-6(12-13-7)8(14)11-5-4-9/h2-3H,4-5H2,1H3,(H,10,13)(H,11,14)
InChIKeyDFZZIYLPWXOFAD-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.22
Rot. Bonds4

About N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide

N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 130504947) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID130504947
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC NameN-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCCF)nn1
InChIInChI=1S/C8H11FN4O/c1-10-7-3-2-6(12-13-7)8(14)11-5-4-9/h2-3H,4-5H2,1H3,(H,10,13)(H,11,14)
InChIKeyDFZZIYLPWXOFAD-UHFFFAOYSA-N
XLogP0.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 62179050
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
CID 62989713
N-tert-butyl-6-(methylamino)pyridazine-3-carboxamide
CID 62173045
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(methylamino)-N-[(1-methylcyclobutyl)methyl]pyridazine-3-carboxamide
CID 114109607
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridazine-3-carboxamide
CID 62524620
N-(2-hydroxyethyl)-N-methyl-6-(methylamino)pyridazine-3-carboxamide
CID 62180605
6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62174780
N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106342494
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide (CID 130504947) is N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)NCCF)nn1.
What is the InChIKey of N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is DFZZIYLPWXOFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c1-10-7-3-2-6(12-13-7)8(14)11-5-4-9/h2-3H,4-5H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide?
N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 198.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 130504947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).