5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C14H16N4S — CID 11448672

IUPAC5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1cc(-c2ccc(N3CC4CNCC4C3)nn2)cs1
InChIInChI=1S/C14H16N4S/c1-2-14(17-16-13(1)10-3-4-19-9-10)18-7-11-5-15-6-12(11)8-18/h1-4,9,11-12,15H,5-8H2
InChIKeyHIGWZQBBMSAVFJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.86
Rot. Bonds2

About 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 11448672) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID11448672
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1cc(-c2ccc(N3CC4CNCC4C3)nn2)cs1
InChIInChI=1S/C14H16N4S/c1-2-14(17-16-13(1)10-3-4-19-9-10)18-7-11-5-15-6-12(11)8-18/h1-4,9,11-12,15H,5-8H2
InChIKeyHIGWZQBBMSAVFJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 11448672) is 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1cc(-c2ccc(N3CC4CNCC4C3)nn2)cs1.
What is the InChIKey of 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is HIGWZQBBMSAVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-14(17-16-13(1)10-3-4-19-9-10)18-7-11-5-15-6-12(11)8-18/h1-4,9,11-12,15H,5-8H2.
What are the key properties of 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 272.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-thiophen-3-ylpyridazin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 11448672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).