5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile

C18H17N5OS — CID 133372979

IUPAC5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile
SMILESCCc1nnc(Sc2nnc(-c3ccccc3C)o2)c(C#N)c1CC
InChIInChI=1S/C18H17N5OS/c1-4-12-14(10-19)17(22-20-15(12)5-2)25-18-23-21-16(24-18)13-9-7-6-8-11(13)3/h6-9H,4-5H2,1-3H3
InChIKeyOTAWXAUDXVMFLC-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.98
Rot. Bonds5

About 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile

5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile (PubChem CID 133372979) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile
PubChem CID133372979
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile
SMILESCCc1nnc(Sc2nnc(-c3ccccc3C)o2)c(C#N)c1CC
InChIInChI=1S/C18H17N5OS/c1-4-12-14(10-19)17(22-20-15(12)5-2)25-18-23-21-16(24-18)13-9-7-6-8-11(13)3/h6-9H,4-5H2,1-3H3
InChIKeyOTAWXAUDXVMFLC-UHFFFAOYSA-N
XLogP3.98
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile 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 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile (CID 133372979) is 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile is CCc1nnc(Sc2nnc(-c3ccccc3C)o2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile?
The InChIKey is OTAWXAUDXVMFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-4-12-14(10-19)17(22-20-15(12)5-2)25-18-23-21-16(24-18)13-9-7-6-8-11(13)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile has a molecular weight of 351.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133372979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).