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

C16H12N6O2S — CID 43971554

IUPACN-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2ccc(-c3ccccn3)nn12)Nc1ccco1
InChIInChI=1S/C16H12N6O2S/c23-14(18-15-5-3-9-24-15)10-25-16-20-19-13-7-6-12(21-22(13)16)11-4-1-2-8-17-11/h1-9H,10H2,(H,18,23)
InChIKeyXKZPVNBREOGSTF-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.51
Rot. Bonds5

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

N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (PubChem CID 43971554) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
PubChem CID43971554
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC NameN-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2ccc(-c3ccccn3)nn12)Nc1ccco1
InChIInChI=1S/C16H12N6O2S/c23-14(18-15-5-3-9-24-15)10-25-16-20-19-13-7-6-12(21-22(13)16)11-4-1-2-8-17-11/h1-9H,10H2,(H,18,23)
InChIKeyXKZPVNBREOGSTF-UHFFFAOYSA-N
XLogP2.51
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (CID 43971554) is N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is O=C(CSc1nnc2ccc(-c3ccccn3)nn12)Nc1ccco1.
What is the InChIKey of N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The InChIKey is XKZPVNBREOGSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c23-14(18-15-5-3-9-24-15)10-25-16-20-19-13-7-6-12(21-22(13)16)11-4-1-2-8-17-11/h1-9H,10H2,(H,18,23).
What are the key properties of N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 43971554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).