2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol

C14H21N5O2 — CID 133315311

IUPAC2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol
SMILESCCc1nnc2ccc(N3CCCC(OCCO)C3)nn12
InChIInChI=1S/C14H21N5O2/c1-2-12-15-16-13-5-6-14(17-19(12)13)18-7-3-4-11(10-18)21-9-8-20/h5-6,11,20H,2-4,7-10H2,1H3
InChIKeyJUBMYWHGWULNOZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.66
Rot. Bonds5

About 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol

2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol (PubChem CID 133315311) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol
PubChem CID133315311
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol
SMILESCCc1nnc2ccc(N3CCCC(OCCO)C3)nn12
InChIInChI=1S/C14H21N5O2/c1-2-12-15-16-13-5-6-14(17-19(12)13)18-7-3-4-11(10-18)21-9-8-20/h5-6,11,20H,2-4,7-10H2,1H3
InChIKeyJUBMYWHGWULNOZ-UHFFFAOYSA-N
XLogP0.66
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1,1-dimethylurea
CID 154736318
3-chloro-6-(3-propoxypiperidin-1-yl)pyridazine
CID 54989826
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]oxyethanol
CID 133315157
3-ethyl-6-(5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155976789
2-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315183
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
3-ethyl-6-[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 155980643
3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 29131696
[6-[3-(2-hydroxyethoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133315243
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315162
[2-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxolan-2-yl)methanone
CID 163346802
6-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 155980569

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol (CID 133315311) is 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol is CCc1nnc2ccc(N3CCCC(OCCO)C3)nn12.
What is the InChIKey of 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol?
The InChIKey is JUBMYWHGWULNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-12-15-16-13-5-6-14(17-19(12)13)18-7-3-4-11(10-18)21-9-8-20/h5-6,11,20H,2-4,7-10H2,1H3.
What are the key properties of 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol?
2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol has a molecular weight of 291.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133315311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).