2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C20H17N5OS — CID 7532239

IUPAC2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C20H17N5OS/c26-20(13-27-12-15-4-2-1-3-5-15)22-17-8-6-16(7-9-17)18-10-11-19-23-21-14-25(19)24-18/h1-11,14H,12-13H2,(H,22,26)
InChIKeyUQKWJSPBIQTGRY-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.66
Rot. Bonds6

About 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7532239) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7532239
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C20H17N5OS/c26-20(13-27-12-15-4-2-1-3-5-15)22-17-8-6-16(7-9-17)18-10-11-19-23-21-14-25(19)24-18/h1-11,14H,12-13H2,(H,22,26)
InChIKeyUQKWJSPBIQTGRY-UHFFFAOYSA-N
XLogP3.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532318
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532323
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036605
2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532242
2-benzylsulfanyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213085
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
CID 7532319
2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532281
2-ethyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532321
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036620
2-benzylsulfanyl-N-[4-[2-[4-[(2-benzylsulfanylacetyl)amino]phenyl]pyrimidin-5-yl]phenyl]acetamide
CID 4176805
2-(4-acetylphenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036596

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7532239) is 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(CSCc1ccccc1)Nc1ccc(-c2ccc3nncn3n2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is UQKWJSPBIQTGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-20(13-27-12-15-4-2-1-3-5-15)22-17-8-6-16(7-9-17)18-10-11-19-23-21-14-25(19)24-18/h1-11,14H,12-13H2,(H,22,26).
What are the key properties of 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 375.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7532239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).