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

C18H14N6OS — CID 7190638

IUPACN-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccccc1
InChIInChI=1S/C18H14N6OS/c25-16(20-14-6-2-1-3-7-14)12-26-17-9-8-15-21-22-18(24(15)23-17)13-5-4-10-19-11-13/h1-11H,12H2,(H,20,25)
InChIKeyXDSZVGHWUCSZAH-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.92
Rot. Bonds5

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

N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190638) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID7190638
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC NameN-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccccc1
InChIInChI=1S/C18H14N6OS/c25-16(20-14-6-2-1-3-7-14)12-26-17-9-8-15-21-22-18(24(15)23-17)13-5-4-10-19-11-13/h1-11H,12H2,(H,20,25)
InChIKeyXDSZVGHWUCSZAH-UHFFFAOYSA-N
XLogP2.92
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190638) is N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is XDSZVGHWUCSZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c25-16(20-14-6-2-1-3-7-14)12-26-17-9-8-15-21-22-18(24(15)23-17)13-5-4-10-19-11-13/h1-11H,12H2,(H,20,25).
What are the key properties of N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 362.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).