6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C19H23N5O — CID 176503035

IUPAC6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(N2CCC(OCc3ccccc3)CC2)c2nncn2n1
InChIInChI=1S/C19H23N5O/c1-2-16-12-18(19-21-20-14-24(19)22-16)23-10-8-17(9-11-23)25-13-15-6-4-3-5-7-15/h3-7,12,14,17H,2,8-11,13H2,1H3
InChIKeySIKDACJKCCWKQX-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.87
Rot. Bonds5

About 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 176503035) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID176503035
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(N2CCC(OCc3ccccc3)CC2)c2nncn2n1
InChIInChI=1S/C19H23N5O/c1-2-16-12-18(19-21-20-14-24(19)22-16)23-10-8-17(9-11-23)25-13-15-6-4-3-5-7-15/h3-7,12,14,17H,2,8-11,13H2,1H3
InChIKeySIKDACJKCCWKQX-UHFFFAOYSA-N
XLogP2.87
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-thiophen-2-ylmethanol
CID 176502386
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
CID 97200713
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
N,N-dimethyl-6-(4-phenylmethoxypiperidin-1-yl)pyridazine-3-carboxamide
CID 136547748
1-(4-isocyanophenyl)-4-phenylmethoxypiperidine
CID 140728394
azane;cyclopentyloxymethylbenzene
CID 69411306
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
CID 91829581
2-methyl-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 118782893
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 176503035) is 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCc1cc(N2CCC(OCc3ccccc3)CC2)c2nncn2n1.
What is the InChIKey of 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SIKDACJKCCWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-16-12-18(19-21-20-14-24(19)22-16)23-10-8-17(9-11-23)25-13-15-6-4-3-5-7-15/h3-7,12,14,17H,2,8-11,13H2,1H3.
What are the key properties of 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 337.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-(4-phenylmethoxypiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 176503035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).