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

C16H16FN5O — CID 134800386

IUPAC8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C16H16FN5O/c1-10(2)8-18-16(23)14-7-13(11-3-5-12(17)6-4-11)15-20-19-9-22(15)21-14/h3-7,9-10H,8H2,1-2H3,(H,18,23)
InChIKeyLCPIMTABRFMTEN-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.32
Rot. Bonds4

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

8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134800386) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134800386
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C16H16FN5O/c1-10(2)8-18-16(23)14-7-13(11-3-5-12(17)6-4-11)15-20-19-9-22(15)21-14/h3-7,9-10H,8H2,1-2H3,(H,18,23)
InChIKeyLCPIMTABRFMTEN-UHFFFAOYSA-N
XLogP2.32
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134800386) is 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc(F)cc2)c2nncn2n1.
What is the InChIKey of 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is LCPIMTABRFMTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-10(2)8-18-16(23)14-7-13(11-3-5-12(17)6-4-11)15-20-19-9-22(15)21-14/h3-7,9-10H,8H2,1-2H3,(H,18,23).
What are the key properties of 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134800386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).