6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C21H25N5O2 — CID 176506394

IUPAC6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(OCC2CCCN(c3cc(C4CC4)nn4cnnc34)C2)c1
InChIInChI=1S/C21H25N5O2/c1-27-17-5-2-6-18(10-17)28-13-15-4-3-9-25(12-15)20-11-19(16-7-8-16)24-26-14-22-23-21(20)26/h2,5-6,10-11,14-16H,3-4,7-9,12-13H2,1H3
InChIKeyRPOYJMMCONYDSE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.31
Rot. Bonds6

About 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 176506394) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID176506394
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(OCC2CCCN(c3cc(C4CC4)nn4cnnc34)C2)c1
InChIInChI=1S/C21H25N5O2/c1-27-17-5-2-6-18(10-17)28-13-15-4-3-9-25(12-15)20-11-19(16-7-8-16)24-26-14-22-23-21(20)26/h2,5-6,10-11,14-16H,3-4,7-9,12-13H2,1H3
InChIKeyRPOYJMMCONYDSE-UHFFFAOYSA-N
XLogP3.31
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70722168
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133308216
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
imidazo[1,2-a]pyridin-3-yl-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 70748196
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176504605
N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569003

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 176506394) is 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1cccc(OCC2CCCN(c3cc(C4CC4)nn4cnnc34)C2)c1.
What is the InChIKey of 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RPOYJMMCONYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-27-17-5-2-6-18(10-17)28-13-15-4-3-9-25(12-15)20-11-19(16-7-8-16)24-26-14-22-23-21(20)26/h2,5-6,10-11,14-16H,3-4,7-9,12-13H2,1H3.
What are the key properties of 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 379.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 176506394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).