2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C16H17N5O3S — CID 7217611

IUPAC2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSc1nnc2ccc(-c3ccco3)nn12)NC[C@H]1CCCO1
InChIInChI=1S/C16H17N5O3S/c22-15(17-9-11-3-1-7-23-11)10-25-16-19-18-14-6-5-12(20-21(14)16)13-4-2-8-24-13/h2,4-6,8,11H,1,3,7,9-10H2,(H,17,22)/t11-/m1/s1
InChIKeyTUPTYBDDOUXANP-LLVKDONJSA-N
MW359.41 g/mol
LogP1.77
Rot. Bonds6

About 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 7217611) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID7217611
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSc1nnc2ccc(-c3ccco3)nn12)NC[C@H]1CCCO1
InChIInChI=1S/C16H17N5O3S/c22-15(17-9-11-3-1-7-23-11)10-25-16-19-18-14-6-5-12(20-21(14)16)13-4-2-8-24-13/h2,4-6,8,11H,1,3,7,9-10H2,(H,17,22)/t11-/m1/s1
InChIKeyTUPTYBDDOUXANP-LLVKDONJSA-N
XLogP1.77
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7531972
2-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7217558
2-[[6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7531392
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
2-[[5-(furan-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5168064
2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-phenylacetamide
CID 7531750
N-(4-acetylphenyl)-2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 7217589
2-[[4-(4-ethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 23971281
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9378471
2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7531767
N-[[(2S)-oxolan-2-yl]methyl]-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7099267
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42328442

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 7217611) is 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CSc1nnc2ccc(-c3ccco3)nn12)NC[C@H]1CCCO1.
What is the InChIKey of 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is TUPTYBDDOUXANP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N5O3S/c22-15(17-9-11-3-1-7-23-11)10-25-16-19-18-14-6-5-12(20-21(14)16)13-4-2-8-24-13/h2,4-6,8,11H,1,3,7,9-10H2,(H,17,22)/t11-/m1/s1.
What are the key properties of 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 7217611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).