N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

C16H13N7O2S — CID 5310527

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)no1
InChIInChI=1S/C16H13N7O2S/c1-10-8-12(22-25-10)18-14(24)9-26-15-6-5-13-19-20-16(23(13)21-15)11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H,18,22,24)
InChIKeyZZTOBJZJCFAUNW-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.21
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 5310527) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID5310527
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)no1
InChIInChI=1S/C16H13N7O2S/c1-10-8-12(22-25-10)18-14(24)9-26-15-6-5-13-19-20-16(23(13)21-15)11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H,18,22,24)
InChIKeyZZTOBJZJCFAUNW-UHFFFAOYSA-N
XLogP2.21
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamide
CID 1173303
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-N-(5-methylisoxazol-3-yl)acetamide
CID 2241109
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 5310168
N-(5-methylisoxazol-3-yl)-2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 3240823
N-(5-methyl-3-isoxazolyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
CID 5310005
2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16188158
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2623056
2-((1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7199971
2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}-N-(5-methylisoxazol-3-yl)acetamide
CID 3242682
N-(5-methyl-1,2-oxazol-3-yl)-2-{[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
CID 3243330
2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 3245448
2-((1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7199916

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 5310527) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is ZZTOBJZJCFAUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c1-10-8-12(22-25-10)18-14(24)9-26-15-6-5-13-19-20-16(23(13)21-15)11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H,18,22,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 367.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 5310527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).