6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile

C10H8N4OS — CID 133433202

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESCc1nc(Sc2ccc(C#N)nn2)oc1C
InChIInChI=1S/C10H8N4OS/c1-6-7(2)15-10(12-6)16-9-4-3-8(5-11)13-14-9/h3-4H,1-2H3
InChIKeyZDLJNXNUNFZNTP-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.10
Rot. Bonds2

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133433202) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile
PubChem CID133433202
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile
SMILESCc1nc(Sc2ccc(C#N)nn2)oc1C
InChIInChI=1S/C10H8N4OS/c1-6-7(2)15-10(12-6)16-9-4-3-8(5-11)13-14-9/h3-4H,1-2H3
InChIKeyZDLJNXNUNFZNTP-UHFFFAOYSA-N
XLogP2.10
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-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 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile (CID 133433202) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile is Cc1nc(Sc2ccc(C#N)nn2)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is ZDLJNXNUNFZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-6-7(2)15-10(12-6)16-9-4-3-8(5-11)13-14-9/h3-4H,1-2H3.
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133433202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).