8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C18H19FN6O2 — CID 134799348

IUPAC8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C18H19FN6O2/c19-14-3-1-13(2-4-14)15-11-16(23-25-12-21-22-17(15)25)18(26)20-5-6-24-7-9-27-10-8-24/h1-4,11-12H,5-10H2,(H,20,26)
InChIKeyXZRQYBJZRMFQMW-UHFFFAOYSA-N
MW370.39 g/mol
LogP0.99
Rot. Bonds5

About 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134799348) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134799348
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C18H19FN6O2/c19-14-3-1-13(2-4-14)15-11-16(23-25-12-21-22-17(15)25)18(26)20-5-6-24-7-9-27-10-8-24/h1-4,11-12H,5-10H2,(H,20,26)
InChIKeyXZRQYBJZRMFQMW-UHFFFAOYSA-N
XLogP0.99
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide with MolForge

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Related Compounds

4-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332223
6-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115658
6-(2-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115723
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
7-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877286
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877602
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134799348) is 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)c2nncn2n1.
What is the InChIKey of 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is XZRQYBJZRMFQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c19-14-3-1-13(2-4-14)15-11-16(23-25-12-21-22-17(15)25)18(26)20-5-6-24-7-9-27-10-8-24/h1-4,11-12H,5-10H2,(H,20,26).
What are the key properties of 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134799348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).