2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H18N4S — CID 11437644

IUPAC2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ccc(-c4ccsc4)nn3)CC2C1
InChIInChI=1S/C15H18N4S/c1-18-6-12-8-19(9-13(12)7-18)15-3-2-14(16-17-15)11-4-5-20-10-11/h2-5,10,12-13H,6-9H2,1H3
InChIKeyJYJHPXXSKZTMED-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.20
Rot. Bonds2

About 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 11437644) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID11437644
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(c3ccc(-c4ccsc4)nn3)CC2C1
InChIInChI=1S/C15H18N4S/c1-18-6-12-8-19(9-13(12)7-18)15-3-2-14(16-17-15)11-4-5-20-10-11/h2-5,10,12-13H,6-9H2,1H3
InChIKeyJYJHPXXSKZTMED-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 11437644) is 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(c3ccc(-c4ccsc4)nn3)CC2C1.
What is the InChIKey of 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is JYJHPXXSKZTMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-18-6-12-8-19(9-13(12)7-18)15-3-2-14(16-17-15)11-4-5-20-10-11/h2-5,10,12-13H,6-9H2,1H3.
What are the key properties of 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 286.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-thiophen-3-ylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 11437644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).