3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one

C13H17N5O3 — CID 56761876

IUPAC3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc2nnc(CCC(=O)N3CCOCC3)n2n1
InChIInChI=1S/C13H17N5O3/c1-20-12-4-2-10-14-15-11(18(10)16-12)3-5-13(19)17-6-8-21-9-7-17/h2,4H,3,5-9H2,1H3
InChIKeyKKOZHRMJPJGYOW-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.08
Rot. Bonds4

About 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one

3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 56761876) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID56761876
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc2nnc(CCC(=O)N3CCOCC3)n2n1
InChIInChI=1S/C13H17N5O3/c1-20-12-4-2-10-14-15-11(18(10)16-12)3-5-13(19)17-6-8-21-9-7-17/h2,4H,3,5-9H2,1H3
InChIKeyKKOZHRMJPJGYOW-UHFFFAOYSA-N
XLogP-0.08
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one (CID 56761876) is 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one is COc1ccc2nnc(CCC(=O)N3CCOCC3)n2n1.
What is the InChIKey of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is KKOZHRMJPJGYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-20-12-4-2-10-14-15-11(18(10)16-12)3-5-13(19)17-6-8-21-9-7-17/h2,4H,3,5-9H2,1H3.
What are the key properties of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one?
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 291.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56761876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).