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

C19H16N6O2S — CID 7190486

IUPACN-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1
InChIInChI=1S/C19H16N6O2S/c1-27-14-7-5-13(6-8-14)21-17(26)12-28-18-10-9-16-22-23-19(25(16)24-18)15-4-2-3-11-20-15/h2-11H,12H2,1H3,(H,21,26)
InChIKeyMMIFEMCLBRMYLW-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.93
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190486) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID7190486
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1
InChIInChI=1S/C19H16N6O2S/c1-27-14-7-5-13(6-8-14)21-17(26)12-28-18-10-9-16-22-23-19(25(16)24-18)15-4-2-3-11-20-15/h2-11H,12H2,1H3,(H,21,26)
InChIKeyMMIFEMCLBRMYLW-UHFFFAOYSA-N
XLogP2.93
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190486) is N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is MMIFEMCLBRMYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-27-14-7-5-13(6-8-14)21-17(26)12-28-18-10-9-16-22-23-19(25(16)24-18)15-4-2-3-11-20-15/h2-11H,12H2,1H3,(H,21,26).
What are the key properties of N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).