N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide

C20H15ClFN5O2 — CID 91893436

IUPACN-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc1F
InChIInChI=1S/C20H15ClFN5O2/c1-29-17-8-4-13(10-15(17)22)20(28)23-11-19-25-24-18-9-7-16(26-27(18)19)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,23,28)
InChIKeyFYMSTBKABHRFEO-UHFFFAOYSA-N
MW411.82 g/mol
LogP3.52
Rot. Bonds5

About N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide

N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 91893436) has the molecular formula C20H15ClFN5O2 and a molecular weight of 411.82 g/mol. Its IUPAC name is N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide
PubChem CID91893436
Molecular FormulaC20H15ClFN5O2
Molecular Weight411.82 g/mol
Exact Mass411.09
IUPAC NameN-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc1F
InChIInChI=1S/C20H15ClFN5O2/c1-29-17-8-4-13(10-15(17)22)20(28)23-11-19-25-24-18-9-7-16(26-27(18)19)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,23,28)
InChIKeyFYMSTBKABHRFEO-UHFFFAOYSA-N
XLogP3.52
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-difluorobenzamide
CID 91893450
3-bromo-N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
CID 91893453
N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91893445
2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
CID 91893525
3-fluoro-4-methoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 18126370
3-fluoro-4-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91631867
4-cyano-N-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
CID 91909389
N-(5-chloro-2-methoxyphenyl)-2-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 40981955
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 91893423
N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 119102561

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide (CID 91893436) is N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc1F.
What is the InChIKey of N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is FYMSTBKABHRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O2/c1-29-17-8-4-13(10-15(17)22)20(28)23-11-19-25-24-18-9-7-16(26-27(18)19)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3,(H,23,28).
What are the key properties of N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide?
N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 411.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 91893436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).