6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C17H25N5O2 — CID 126911730

IUPAC6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(CC4CCCCO4)CC3)n2n1
InChIInChI=1S/C17H25N5O2/c1-23-16-6-5-15-18-19-17(22(15)20-16)13-7-9-21(10-8-13)12-14-4-2-3-11-24-14/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyKNRLSVZWQLNCHV-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.88
Rot. Bonds4

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

6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911730) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126911730
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(C3CCN(CC4CCCCO4)CC3)n2n1
InChIInChI=1S/C17H25N5O2/c1-23-16-6-5-15-18-19-17(22(15)20-16)13-7-9-21(10-8-13)12-14-4-2-3-11-24-14/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyKNRLSVZWQLNCHV-UHFFFAOYSA-N
XLogP1.88
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911730) is 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(C3CCN(CC4CCCCO4)CC3)n2n1.
What is the InChIKey of 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KNRLSVZWQLNCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-23-16-6-5-15-18-19-17(22(15)20-16)13-7-9-21(10-8-13)12-14-4-2-3-11-24-14/h5-6,13-14H,2-4,7-12H2,1H3.
What are the key properties of 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 331.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).