(2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine

C17H20N6O2 — CID 134808031

IUPAC(2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine
SMILESCOc1ccnc(-c2nnc3ccc(N4C[C@@H](C)O[C@@H](C)C4)nn23)c1
InChIInChI=1S/C17H20N6O2/c1-11-9-22(10-12(2)25-11)16-5-4-15-19-20-17(23(15)21-16)14-8-13(24-3)6-7-18-14/h4-8,11-12H,9-10H2,1-3H3/t11-,12+
InChIKeyHAEOYZOZKBKRDJ-TXEJJXNPSA-N
MW340.39 g/mol
LogP1.81
Rot. Bonds3

About (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine (PubChem CID 134808031) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine
PubChem CID134808031
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine
SMILESCOc1ccnc(-c2nnc3ccc(N4C[C@@H](C)O[C@@H](C)C4)nn23)c1
InChIInChI=1S/C17H20N6O2/c1-11-9-22(10-12(2)25-11)16-5-4-15-19-20-17(23(15)21-16)14-8-13(24-3)6-7-18-14/h4-8,11-12H,9-10H2,1-3H3/t11-,12+
InChIKeyHAEOYZOZKBKRDJ-TXEJJXNPSA-N
XLogP1.81
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine (CID 134808031) is (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine is COc1ccnc(-c2nnc3ccc(N4C[C@@H](C)O[C@@H](C)C4)nn23)c1.
What is the InChIKey of (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine?
The InChIKey is HAEOYZOZKBKRDJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-9-22(10-12(2)25-11)16-5-4-15-19-20-17(23(15)21-16)14-8-13(24-3)6-7-18-14/h4-8,11-12H,9-10H2,1-3H3/t11-,12+.
What are the key properties of (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine has a molecular weight of 340.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[3-(4-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 134808031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).