1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone

C15H15N5O2S2 — CID 5310301

IUPAC1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
SMILESO=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCOCC1
InChIInChI=1S/C15H15N5O2S2/c21-14(19-5-7-22-8-6-19)10-24-13-4-3-12-16-17-15(20(12)18-13)11-2-1-9-23-11/h1-4,9H,5-8,10H2
InChIKeyOTGGICFGHMXNNN-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.80
Rot. Bonds4

About 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone

1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone (PubChem CID 5310301) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
PubChem CID5310301
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
SMILESO=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCOCC1
InChIInChI=1S/C15H15N5O2S2/c21-14(19-5-7-22-8-6-19)10-24-13-4-3-12-16-17-15(20(12)18-13)11-2-1-9-23-11/h1-4,9H,5-8,10H2
InChIKeyOTGGICFGHMXNNN-UHFFFAOYSA-N
XLogP1.80
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone (CID 5310301) is 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone is O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
The InChIKey is OTGGICFGHMXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c21-14(19-5-7-22-8-6-19)10-24-13-4-3-12-16-17-15(20(12)18-13)11-2-1-9-23-11/h1-4,9H,5-8,10H2.
What are the key properties of 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone is sourced from PubChem (CID 5310301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).