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2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol

C12H18N4O — CID 141392386

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
SMILESOCCN1C[C@@H]2CN(c3cccnn3)C[C@@H]2C1
InChIInChI=1S/C12H18N4O/c17-5-4-15-6-10-8-16(9-11(10)7-15)12-2-1-3-13-14-12/h1-3,10-11,17H,4-9H2/t10-,11+
InChIKeyWUZICYZMZWKJCJ-PHIMTYICSA-N
MW234.30 g/mol
LogP-0.16
Rot. Bonds3

About 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol

2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol (PubChem CID 141392386) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
PubChem CID141392386
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
SMILESOCCN1C[C@@H]2CN(c3cccnn3)C[C@@H]2C1
InChIInChI=1S/C12H18N4O/c17-5-4-15-6-10-8-16(9-11(10)7-15)12-2-1-3-13-14-12/h1-3,10-11,17H,4-9H2/t10-,11+
InChIKeyWUZICYZMZWKJCJ-PHIMTYICSA-N
XLogP-0.16
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol (CID 141392386) is 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol is OCCN1C[C@@H]2CN(c3cccnn3)C[C@@H]2C1.
What is the InChIKey of 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
The InChIKey is WUZICYZMZWKJCJ-PHIMTYICSA-N. The full InChI is InChI=1S/C12H18N4O/c17-5-4-15-6-10-8-16(9-11(10)7-15)12-2-1-3-13-14-12/h1-3,10-11,17H,4-9H2/t10-,11+.
What are the key properties of 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol has a molecular weight of 234.30 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-5-pyridazin-3-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol is sourced from PubChem (CID 141392386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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