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

C12H7BrFN5O — CID 146079075

IUPACN-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc2nncn2n1
InChIInChI=1S/C12H7BrFN5O/c13-7-1-2-9(8(14)5-7)16-12(20)10-3-4-11-17-15-6-19(11)18-10/h1-6H,(H,16,20)
InChIKeyQRNROPDTUKSIFK-UHFFFAOYSA-N
MW336.12 g/mol
LogP2.28
Rot. Bonds2

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

N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 146079075) has the molecular formula C12H7BrFN5O and a molecular weight of 336.12 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID146079075
Molecular FormulaC12H7BrFN5O
Molecular Weight336.12 g/mol
Exact Mass334.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc2nncn2n1
InChIInChI=1S/C12H7BrFN5O/c13-7-1-2-9(8(14)5-7)16-12(20)10-3-4-11-17-15-6-19(11)18-10/h1-6H,(H,16,20)
InChIKeyQRNROPDTUKSIFK-UHFFFAOYSA-N
XLogP2.28
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 146079075) is N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc2nncn2n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is QRNROPDTUKSIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN5O/c13-7-1-2-9(8(14)5-7)16-12(20)10-3-4-11-17-15-6-19(11)18-10/h1-6H,(H,16,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 336.12 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 146079075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).