N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

C21H22N6O4 — CID 20957093

IUPACN-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccco4)nn23)cc1OC
InChIInChI=1S/C21H22N6O4/c1-29-16-6-5-14(12-17(16)30-2)23-21(28)10-9-20-25-24-19-8-7-18(26-27(19)20)22-13-15-4-3-11-31-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyAKRXQKNUBVSIPE-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.92
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20957093) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20957093
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccco4)nn23)cc1OC
InChIInChI=1S/C21H22N6O4/c1-29-16-6-5-14(12-17(16)30-2)23-21(28)10-9-20-25-24-19-8-7-18(26-27(19)20)22-13-15-4-3-11-31-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyAKRXQKNUBVSIPE-UHFFFAOYSA-N
XLogP2.92
TPSA115.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide 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-(3-acetylphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957099
3-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethoxyphenyl)propanamide
CID 20957358
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20957119
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide
CID 20957116
3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 113011350
N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903995
3-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 20956981
3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 20957275
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712
3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 20957066
N-(1,3-benzodioxol-5-yl)-3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957288
3-(furan-2-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55826214

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20957093) is N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is COc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccco4)nn23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is AKRXQKNUBVSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-29-16-6-5-14(12-17(16)30-2)23-21(28)10-9-20-25-24-19-8-7-18(26-27(19)20)22-13-15-4-3-11-31-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 422.45 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[6-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20957093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).