6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

C19H23N5O2 — CID 177020009

IUPAC6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCOc1ccc(OC2CCN(c3nn4ncnc4c(C)c3C)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-14(2)19(22-24-18(13)20-12-21-24)23-10-8-17(9-11-23)26-16-6-4-15(25-3)5-7-16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyCGTMFYKINLTFTL-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.80
Rot. Bonds4

About 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine

6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 177020009) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID177020009
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCOc1ccc(OC2CCN(c3nn4ncnc4c(C)c3C)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-14(2)19(22-24-18(13)20-12-21-24)23-10-8-17(9-11-23)26-16-6-4-15(25-3)5-7-16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyCGTMFYKINLTFTL-UHFFFAOYSA-N
XLogP2.80
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 177020009) is 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine is COc1ccc(OC2CCN(c3nn4ncnc4c(C)c3C)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is CGTMFYKINLTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-14(2)19(22-24-18(13)20-12-21-24)23-10-8-17(9-11-23)26-16-6-4-15(25-3)5-7-16/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 353.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenoxy)piperidin-1-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 177020009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).