6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C17H21N7O — CID 163349443

IUPAC6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cnc(C)c(OC2CCN(c3ccc4nnc(C)n4n3)CC2)n1
InChIInChI=1S/C17H21N7O/c1-11-10-18-12(2)17(19-11)25-14-6-8-23(9-7-14)16-5-4-15-21-20-13(3)24(15)22-16/h4-5,10,14H,6-9H2,1-3H3
InChIKeyLGKINNVYHALUPI-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.89
Rot. Bonds3

About 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 163349443) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID163349443
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cnc(C)c(OC2CCN(c3ccc4nnc(C)n4n3)CC2)n1
InChIInChI=1S/C17H21N7O/c1-11-10-18-12(2)17(19-11)25-14-6-8-23(9-7-14)16-5-4-15-21-20-13(3)24(15)22-16/h4-5,10,14H,6-9H2,1-3H3
InChIKeyLGKINNVYHALUPI-UHFFFAOYSA-N
XLogP1.89
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 163349443) is 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cnc(C)c(OC2CCN(c3ccc4nnc(C)n4n3)CC2)n1.
What is the InChIKey of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LGKINNVYHALUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-10-18-12(2)17(19-11)25-14-6-8-23(9-7-14)16-5-4-15-21-20-13(3)24(15)22-16/h4-5,10,14H,6-9H2,1-3H3.
What are the key properties of 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 339.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 163349443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).