N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide

C15H18N6O3S — CID 167846360

IUPACN-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnc3nc[nH]n23)cc1OCC
InChIInChI=1S/C15H18N6O3S/c1-3-23-11-6-5-10(7-12(11)24-4-2)18-13(22)8-25-15-20-19-14-16-9-17-21(14)15/h5-7,9H,3-4,8H2,1-2H3,(H,18,22)(H,16,17,19)
InChIKeyAMYLKNPRVWWUGD-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.98
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide

N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide (PubChem CID 167846360) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide
PubChem CID167846360
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC NameN-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnc3nc[nH]n23)cc1OCC
InChIInChI=1S/C15H18N6O3S/c1-3-23-11-6-5-10(7-12(11)24-4-2)18-13(22)8-25-15-20-19-14-16-9-17-21(14)15/h5-7,9H,3-4,8H2,1-2H3,(H,18,22)(H,16,17,19)
InChIKeyAMYLKNPRVWWUGD-UHFFFAOYSA-N
XLogP1.98
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-diethoxyphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988171
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
N-(3,4-diethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2460546
2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
CID 7466998
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452
N-(3,4-diethoxyphenyl)-2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 38377393
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-diethoxyphenyl)acetamide
CID 55323981
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 167287889

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide (CID 167846360) is N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide is CCOc1ccc(NC(=O)CSc2nnc3nc[nH]n23)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide?
The InChIKey is AMYLKNPRVWWUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-3-23-11-6-5-10(7-12(11)24-4-2)18-13(22)8-25-15-20-19-14-16-9-17-21(14)15/h5-7,9H,3-4,8H2,1-2H3,(H,18,22)(H,16,17,19).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide?
N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide has a molecular weight of 362.42 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 167846360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).