2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C15H15N7OS — CID 6877250

IUPAC2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)n2nc(SCC(=O)N/N=C/c3ccccn3)nc2n1
InChIInChI=1S/C15H15N7OS/c1-10-7-11(2)22-14(18-10)19-15(21-22)24-9-13(23)20-17-8-12-5-3-4-6-16-12/h3-8H,9H2,1-2H3,(H,20,23)/b17-8+
InChIKeyWLWHIIHSJNPZSB-CAOOACKPSA-N
MW341.40 g/mol
LogP1.38
Rot. Bonds5

About 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 6877250) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID6877250
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)n2nc(SCC(=O)N/N=C/c3ccccn3)nc2n1
InChIInChI=1S/C15H15N7OS/c1-10-7-11(2)22-14(18-10)19-15(21-22)24-9-13(23)20-17-8-12-5-3-4-6-16-12/h3-8H,9H2,1-2H3,(H,20,23)/b17-8+
InChIKeyWLWHIIHSJNPZSB-CAOOACKPSA-N
XLogP1.38
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-{[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6461823
2-(4-Amino-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetamide
CID 934561
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2550341
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
CID 6896559
N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888651
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884237
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 651481
2-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 974207
5,7-dimethyl-N-3-pyridinyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2979484
2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylthio)propanamide
CID 4335968
N-(5-chloro-2-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4883099
2-((6-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-(o-tolyl)acetamide
CID 7532016

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 6877250) is 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccccn3)nc2n1.
What is the InChIKey of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is WLWHIIHSJNPZSB-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-10-7-11(2)22-14(18-10)19-15(21-22)24-9-13(23)20-17-8-12-5-3-4-6-16-12/h3-8H,9H2,1-2H3,(H,20,23)/b17-8+.
What are the key properties of 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 341.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6877250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).