N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C17H19N5O4 — CID 56761580

IUPACN-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2nnc3ccc(OC)nn23)c1
InChIInChI=1S/C17H19N5O4/c1-24-11-4-5-13(25-2)12(10-11)18-16(23)8-6-14-19-20-15-7-9-17(26-3)21-22(14)15/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,23)
InChIKeyFUIDIMNZHFJWLR-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.72
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 56761580) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID56761580
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2nnc3ccc(OC)nn23)c1
InChIInChI=1S/C17H19N5O4/c1-24-11-4-5-13(25-2)12(10-11)18-16(23)8-6-14-19-20-15-7-9-17(26-3)21-22(14)15/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,23)
InChIKeyFUIDIMNZHFJWLR-UHFFFAOYSA-N
XLogP1.72
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide
CID 56761236
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 128963304
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16806730
N-(2,5-dimethoxyphenyl)-2-[[6-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 40982432
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 96557614
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16806727
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679301
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
1-(4,7-diethyl-1,4,7-triazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 166263244

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 56761580) is N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc(OC)c(NC(=O)CCc2nnc3ccc(OC)nn23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is FUIDIMNZHFJWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-24-11-4-5-13(25-2)12(10-11)18-16(23)8-6-14-19-20-15-7-9-17(26-3)21-22(14)15/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 357.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 56761580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).