6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine

C19H21N5O2 — CID 177019887

IUPAC6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1cc2ncnn2nc1N1CCC(Oc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H21N5O2/c1-13-10-18-20-12-21-24(18)22-19(13)23-7-4-15(5-8-23)26-16-2-3-17-14(11-16)6-9-25-17/h2-3,10-12,15H,4-9H2,1H3
InChIKeyTUYJUOXMAGDCBH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.42
Rot. Bonds3

About 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine

6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 177019887) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID177019887
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1cc2ncnn2nc1N1CCC(Oc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H21N5O2/c1-13-10-18-20-12-21-24(18)22-19(13)23-7-4-15(5-8-23)26-16-2-3-17-14(11-16)6-9-25-17/h2-3,10-12,15H,4-9H2,1H3
InChIKeyTUYJUOXMAGDCBH-UHFFFAOYSA-N
XLogP2.42
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 177019887) is 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine is Cc1cc2ncnn2nc1N1CCC(Oc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is TUYJUOXMAGDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-10-18-20-12-21-24(18)22-19(13)23-7-4-15(5-8-23)26-16-2-3-17-14(11-16)6-9-25-17/h2-3,10-12,15H,4-9H2,1H3.
What are the key properties of 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 351.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dihydro-1-benzofuran-5-yloxy)piperidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 177019887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).