3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

C24H25N5OS — CID 16873005

IUPAC3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C24H25N5OS/c30-23(15-8-17-5-2-1-3-6-17)25-19-11-9-18(10-12-19)20-13-14-22-26-27-24(29(22)28-20)21-7-4-16-31-21/h4,7,9-14,16-17H,1-3,5-6,8,15H2,(H,25,30)
InChIKeyVEYDOOGWFOICKQ-UHFFFAOYSA-N
MW431.57 g/mol
LogP5.82
Rot. Bonds6

About 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 16873005) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
PubChem CID16873005
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C24H25N5OS/c30-23(15-8-17-5-2-1-3-6-17)25-19-11-9-18(10-12-19)20-13-14-22-26-27-24(29(22)28-20)21-7-4-16-31-21/h4,7,9-14,16-17H,1-3,5-6,8,15H2,(H,25,30)
InChIKeyVEYDOOGWFOICKQ-UHFFFAOYSA-N
XLogP5.82
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide 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 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (CID 16873005) is 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The InChIKey is VEYDOOGWFOICKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c30-23(15-8-17-5-2-1-3-6-17)25-19-11-9-18(10-12-19)20-13-14-22-26-27-24(29(22)28-20)21-7-4-16-31-21/h4,7,9-14,16-17H,1-3,5-6,8,15H2,(H,25,30).
What are the key properties of 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 431.57 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 16873005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).