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

C18H13FN6O — CID 134796077

IUPAC8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C18H13FN6O/c19-13-6-4-12(5-7-13)15-9-16(24-25-11-22-23-17(15)25)18(26)21-10-14-3-1-2-8-20-14/h1-9,11H,10H2,(H,21,26)
InChIKeyBFVOPLITFPKEEP-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.26
Rot. Bonds4

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

8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134796077) has the molecular formula C18H13FN6O and a molecular weight of 348.34 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134796077
Molecular FormulaC18H13FN6O
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Name8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C18H13FN6O/c19-13-6-4-12(5-7-13)15-9-16(24-25-11-22-23-17(15)25)18(26)21-10-14-3-1-2-8-20-14/h1-9,11H,10H2,(H,21,26)
InChIKeyBFVOPLITFPKEEP-UHFFFAOYSA-N
XLogP2.26
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134799547
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 46104880
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384609
1-[(4-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 53333432
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 16675997
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265
7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134796077) is 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccc(F)cc2)c2nncn2n1.
What is the InChIKey of 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is BFVOPLITFPKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O/c19-13-6-4-12(5-7-13)15-9-16(24-25-11-22-23-17(15)25)18(26)21-10-14-3-1-2-8-20-14/h1-9,11H,10H2,(H,21,26).
What are the key properties of 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134796077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).