6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C11H15N5O — CID 84696751

IUPAC6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCCCN3)n2n1
InChIInChI=1S/C11H15N5O/c1-17-10-6-5-9-13-14-11(16(9)15-10)8-4-2-3-7-12-8/h5-6,8,12H,2-4,7H2,1H3
InChIKeyLCUGYCWNIUPRBV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.95
Rot. Bonds2

About 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 84696751) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID84696751
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCCCN3)n2n1
InChIInChI=1S/C11H15N5O/c1-17-10-6-5-9-13-14-11(16(9)15-10)8-4-2-3-7-12-8/h5-6,8,12H,2-4,7H2,1H3
InChIKeyLCUGYCWNIUPRBV-UHFFFAOYSA-N
XLogP0.95
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
CID 138987947
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982435
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 102567910
6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464
3-methoxy-6-pyrrolidin-2-ylpyridazine
CID 117105794
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911730

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 84696751) is 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(C3CCCCN3)n2n1.
What is the InChIKey of 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LCUGYCWNIUPRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-17-10-6-5-9-13-14-11(16(9)15-10)8-4-2-3-7-12-8/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 233.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 84696751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).