3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C21H26N6O — CID 136523293

IUPAC3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOc1ccc(CN2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1
InChIInChI=1S/C21H26N6O/c1-2-28-18-7-3-16(4-8-18)15-25-11-13-26(14-12-25)20-10-9-19-22-23-21(17-5-6-17)27(19)24-20/h3-4,7-10,17H,2,5-6,11-15H2,1H3
InChIKeyDBQDBQHETUUGNF-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.72
Rot. Bonds6

About 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 136523293) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID136523293
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOc1ccc(CN2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1
InChIInChI=1S/C21H26N6O/c1-2-28-18-7-3-16(4-8-18)15-25-11-13-26(14-12-25)20-10-9-19-22-23-21(17-5-6-17)27(19)24-20/h3-4,7-10,17H,2,5-6,11-15H2,1H3
InChIKeyDBQDBQHETUUGNF-UHFFFAOYSA-N
XLogP2.72
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136524598
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 126912705
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126912689
6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911035
6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340876
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133308216
6-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67339923
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
N-[(4-ethoxyphenyl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46326722
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510
3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912372

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 136523293) is 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CCOc1ccc(CN2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DBQDBQHETUUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-2-28-18-7-3-16(4-8-18)15-25-11-13-26(14-12-25)20-10-9-19-22-23-21(17-5-6-17)27(19)24-20/h3-4,7-10,17H,2,5-6,11-15H2,1H3.
What are the key properties of 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 378.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 136523293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).