6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

C18H20FN5O — CID 177019880

IUPAC6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2cc(C)c(N3CCC(Oc4cccc(F)c4)CC3)nn2n1
InChIInChI=1S/C18H20FN5O/c1-12-10-17-20-13(2)21-24(17)22-18(12)23-8-6-15(7-9-23)25-16-5-3-4-14(19)11-16/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyZLRBVIHHVCMYFS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.93
Rot. Bonds3

About 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 177019880) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID177019880
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2cc(C)c(N3CCC(Oc4cccc(F)c4)CC3)nn2n1
InChIInChI=1S/C18H20FN5O/c1-12-10-17-20-13(2)21-24(17)22-18(12)23-8-6-15(7-9-23)25-16-5-3-4-14(19)11-16/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyZLRBVIHHVCMYFS-UHFFFAOYSA-N
XLogP2.93
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 177019880) is 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine is Cc1nc2cc(C)c(N3CCC(Oc4cccc(F)c4)CC3)nn2n1.
What is the InChIKey of 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is ZLRBVIHHVCMYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-10-17-20-13(2)21-24(17)22-18(12)23-8-6-15(7-9-23)25-16-5-3-4-14(19)11-16/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 341.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 177019880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).