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

C13H18N4O — CID 104671600

IUPAC(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone
SMILESCCC1C2CNCC2CN1C(=O)c1ccnnc1
InChIInChI=1S/C13H18N4O/c1-2-12-11-7-14-5-10(11)8-17(12)13(18)9-3-4-15-16-6-9/h3-4,6,10-12,14H,2,5,7-8H2,1H3
InChIKeyUWDGUXXPIODEAW-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.55
Rot. Bonds2

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

(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone (PubChem CID 104671600) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone
PubChem CID104671600
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone
SMILESCCC1C2CNCC2CN1C(=O)c1ccnnc1
InChIInChI=1S/C13H18N4O/c1-2-12-11-7-14-5-10(11)8-17(12)13(18)9-3-4-15-16-6-9/h3-4,6,10-12,14H,2,5,7-8H2,1H3
InChIKeyUWDGUXXPIODEAW-UHFFFAOYSA-N
XLogP0.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 66210062
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103120926
(3-chlorophenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66210254
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064142
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxyphenyl)methanone
CID 66210256
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyridazin-4-yl)methanone
CID 104671595
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-pyrrol-2-yl)methanone
CID 66209686
(3-bromo-5-fluorophenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66209489
cyclopropyl-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66210068
2,3-dihydro-1H-inden-2-yl-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 106893388
(2-chloro-5-hydroxyphenyl)-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 106502652
4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1,3-dihydroimidazol-2-one
CID 66209861

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)-pyridazin-4-ylmethanone?
The IUPAC name of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone (CID 104671600) is (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone is CCC1C2CNCC2CN1C(=O)c1ccnnc1.
What is the InChIKey of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone?
The InChIKey is UWDGUXXPIODEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-12-11-7-14-5-10(11)8-17(12)13(18)9-3-4-15-16-6-9/h3-4,6,10-12,14H,2,5,7-8H2,1H3.
What are the key properties of (4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone?
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone has a molecular weight of 246.31 g/mol, XLogP of 0.55, 2 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)-pyridazin-4-ylmethanone is sourced from PubChem (CID 104671600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).