N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C21H26N6O3 — CID 20956867

IUPACN-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCOc1ccc(N(C)C(=O)CCc2nnc3ccc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C21H26N6O3/c1-3-30-17-6-4-16(5-7-17)25(2)21(28)11-10-19-23-22-18-8-9-20(24-27(18)19)26-12-14-29-15-13-26/h4-9H,3,10-15H2,1-2H3
InChIKeySKCGISLMNCBMCU-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.96
Rot. Bonds7

About N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20956867) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20956867
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCOc1ccc(N(C)C(=O)CCc2nnc3ccc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C21H26N6O3/c1-3-30-17-6-4-16(5-7-17)25(2)21(28)11-10-19-23-22-18-8-9-20(24-27(18)19)26-12-14-29-15-13-26/h4-9H,3,10-15H2,1-2H3
InChIKeySKCGISLMNCBMCU-UHFFFAOYSA-N
XLogP1.96
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20956867) is N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is CCOc1ccc(N(C)C(=O)CCc2nnc3ccc(N4CCOCC4)nn23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is SKCGISLMNCBMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-3-30-17-6-4-16(5-7-17)25(2)21(28)11-10-19-23-22-18-8-9-20(24-27(18)19)26-12-14-29-15-13-26/h4-9H,3,10-15H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 410.48 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-methyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20956867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).