3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C20H23N5O — CID 133308216

IUPAC3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(OCC2CCCN(c3ccc4nnc(C5CC5)n4n3)C2)cc1
InChIInChI=1S/C20H23N5O/c1-2-6-17(7-3-1)26-14-15-5-4-12-24(13-15)19-11-10-18-21-22-20(16-8-9-16)25(18)23-19/h1-3,6-7,10-11,15-16H,4-5,8-9,12-14H2
InChIKeyZMMLECKWYVOPOY-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.30
Rot. Bonds5

About 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133308216) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133308216
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(OCC2CCCN(c3ccc4nnc(C5CC5)n4n3)C2)cc1
InChIInChI=1S/C20H23N5O/c1-2-6-17(7-3-1)26-14-15-5-4-12-24(13-15)19-11-10-18-21-22-20(16-8-9-16)25(18)23-19/h1-3,6-7,10-11,15-16H,4-5,8-9,12-14H2
InChIKeyZMMLECKWYVOPOY-UHFFFAOYSA-N
XLogP3.30
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-cyclopropyl-6-[3-(pyridin-3-yloxymethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163357127
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
CID 47060288
CID 134801555
CID 134801555
6-[3-(phenoxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133308222
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166279008
3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 136523293
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-2-methylbenzamide
CID 134801628
3-phenyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133293780
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 133308216) is 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1ccc(OCC2CCCN(c3ccc4nnc(C5CC5)n4n3)C2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZMMLECKWYVOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-6-17(7-3-1)26-14-15-5-4-12-24(13-15)19-11-10-18-21-22-20(16-8-9-16)25(18)23-19/h1-3,6-7,10-11,15-16H,4-5,8-9,12-14H2.
What are the key properties of 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 349.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133308216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).