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

C20H16FN5O2 — CID 134800262

IUPAC8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)c3nncn3n2)c1
InChIInChI=1S/C20H16FN5O2/c1-28-16-4-2-3-13(9-16)11-22-20(27)18-10-17(14-5-7-15(21)8-6-14)19-24-23-12-26(19)25-18/h2-10,12H,11H2,1H3,(H,22,27)
InChIKeyYPIPFWKWRDVHOQ-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.87
Rot. Bonds5

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

8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134800262) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134800262
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)c3nncn3n2)c1
InChIInChI=1S/C20H16FN5O2/c1-28-16-4-2-3-13(9-16)11-22-20(27)18-10-17(14-5-7-15(21)8-6-14)19-24-23-12-26(19)25-18/h2-10,12H,11H2,1H3,(H,22,27)
InChIKeyYPIPFWKWRDVHOQ-UHFFFAOYSA-N
XLogP2.87
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134800262) is 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is COc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)c3nncn3n2)c1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is YPIPFWKWRDVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-28-16-4-2-3-13(9-16)11-22-20(27)18-10-17(14-5-7-15(21)8-6-14)19-24-23-12-26(19)25-18/h2-10,12H,11H2,1H3,(H,22,27).
What are the key properties of 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134800262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).