N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C18H15N5OS — CID 10473008

IUPACN-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCOc1cccc(Nc2nnc3ccc(Sc4ccccc4)nn23)c1
InChIInChI=1S/C18H15N5OS/c1-24-14-7-5-6-13(12-14)19-18-21-20-16-10-11-17(22-23(16)18)25-15-8-3-2-4-9-15/h2-12H,1H3,(H,19,21)
InChIKeyZNSSHELIEZNSDV-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.03
Rot. Bonds5

About N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 10473008) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID10473008
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCOc1cccc(Nc2nnc3ccc(Sc4ccccc4)nn23)c1
InChIInChI=1S/C18H15N5OS/c1-24-14-7-5-6-13(12-14)19-18-21-20-16-10-11-17(22-23(16)18)25-15-8-3-2-4-9-15/h2-12H,1H3,(H,19,21)
InChIKeyZNSSHELIEZNSDV-UHFFFAOYSA-N
XLogP4.03
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 10473008) is N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is COc1cccc(Nc2nnc3ccc(Sc4ccccc4)nn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is ZNSSHELIEZNSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-24-14-7-5-6-13(12-14)19-18-21-20-16-10-11-17(22-23(16)18)25-15-8-3-2-4-9-15/h2-12H,1H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 349.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 10473008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).