(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

C16H24N4O — CID 104671599

IUPAC(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CC2CNCC2C1CC
InChIInChI=1S/C16H24N4O/c1-4-14-12(6-10(3)18-19-14)16(21)20-9-11-7-17-8-13(11)15(20)5-2/h6,11,13,15,17H,4-5,7-9H2,1-3H3
InChIKeyOIUSDUPRGITICK-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.42
Rot. Bonds3

About (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone

(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 104671599) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID104671599
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CC2CNCC2C1CC
InChIInChI=1S/C16H24N4O/c1-4-14-12(6-10(3)18-19-14)16(21)20-9-11-7-17-8-13(11)15(20)5-2/h6,11,13,15,17H,4-5,7-9H2,1-3H3
InChIKeyOIUSDUPRGITICK-UHFFFAOYSA-N
XLogP1.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 104671599) is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)N1CC2CNCC2C1CC.
What is the InChIKey of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is OIUSDUPRGITICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-14-12(6-10(3)18-19-14)16(21)20-9-11-7-17-8-13(11)15(20)5-2/h6,11,13,15,17H,4-5,7-9H2,1-3H3.
What are the key properties of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone?
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 104671599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).