2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide

C11H9Cl2N7OS — CID 1255394

IUPAC2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
SMILESNn1cnn2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc12
InChIInChI=1S/C11H9Cl2N7OS/c12-6-1-7(13)3-8(2-6)16-9(21)4-22-11-18-17-10-19(14)5-15-20(10)11/h1-3,5H,4,14H2,(H,16,21)
InChIKeyURIOEYIENSODCW-UHFFFAOYSA-N
MW358.21 g/mol
LogP1.68
Rot. Bonds4

About 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide

2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 1255394) has the molecular formula C11H9Cl2N7OS and a molecular weight of 358.21 g/mol. Its IUPAC name is 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
PubChem CID1255394
Molecular FormulaC11H9Cl2N7OS
Molecular Weight358.21 g/mol
Exact Mass357.00
IUPAC Name2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
SMILESNn1cnn2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc12
InChIInChI=1S/C11H9Cl2N7OS/c12-6-1-7(13)3-8(2-6)16-9(21)4-22-11-18-17-10-19(14)5-15-20(10)11/h1-3,5H,4,14H2,(H,16,21)
InChIKeyURIOEYIENSODCW-UHFFFAOYSA-N
XLogP1.68
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 691304
2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 2208698
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 7845565
2-[[4-amino-5-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 17049953
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 972432
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
N-(3,5-dichlorophenyl)-2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19729218
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 671584
N-(3,5-dichlorophenyl)-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16514088
N-(3,5-dichlorophenyl)-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 137058507
N-(3,5-dichlorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040423
N-(3,5-dichlorophenyl)-2-[[6-[(4-methoxyphenyl)methyl]-7-oxo-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl]acetamide
CID 135870225

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide (CID 1255394) is 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide is Nn1cnn2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc12.
What is the InChIKey of 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is URIOEYIENSODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N7OS/c12-6-1-7(13)3-8(2-6)16-9(21)4-22-11-18-17-10-19(14)5-15-20(10)11/h1-3,5H,4,14H2,(H,16,21).
What are the key properties of 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 358.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 1255394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).