[(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone

C15H22N4O3 — CID 134690420

IUPAC[(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
SMILESCN(C)CCO[C@H]1CN(C(=O)c2ccnnc2)[C@H]2COC[C@@H]12
InChIInChI=1S/C15H22N4O3/c1-18(2)5-6-22-14-8-19(13-10-21-9-12(13)14)15(20)11-3-4-16-17-7-11/h3-4,7,12-14H,5-6,8-10H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyUFBQNOQGXNDRBO-RDBSUJKOSA-N
MW306.37 g/mol
LogP-0.11
Rot. Bonds5

About [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone

[(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone (PubChem CID 134690420) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
PubChem CID134690420
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
SMILESCN(C)CCO[C@H]1CN(C(=O)c2ccnnc2)[C@H]2COC[C@@H]12
InChIInChI=1S/C15H22N4O3/c1-18(2)5-6-22-14-8-19(13-10-21-9-12(13)14)15(20)11-3-4-16-17-7-11/h3-4,7,12-14H,5-6,8-10H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyUFBQNOQGXNDRBO-RDBSUJKOSA-N
XLogP-0.11
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-indol-5-yl)methanone
CID 97459521
[(3S,3aS,7aR)-3-[2-(dimethylamino)ethoxy]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 98777569
[(3S,3aS,6aR)-3-ethoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133145120
3-[(3S,3aS,6aR)-3-(cyclopropylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carbonyl]benzonitrile
CID 133142377
[(3R,3aS,7aR)-3-(diethylamino)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
CID 97460290
3-[(3S,3aS,6aR)-3-(pyridin-2-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carbonyl]benzonitrile
CID 133143217
4-[(3R,3aR,6aS)-3-(pyridin-2-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carbonyl]benzonitrile
CID 155902362
[(1R,4S,7R)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]-pyridazin-4-ylmethanone
CID 124802546
N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide
CID 125240073
[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155826994
[(3aS,5S,7aS)-5-(methoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
CID 98777451
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-pyridazin-4-ylmethanone
CID 104671600

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone (CID 134690420) is [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone is CN(C)CCO[C@H]1CN(C(=O)c2ccnnc2)[C@H]2COC[C@@H]12.
What is the InChIKey of [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is UFBQNOQGXNDRBO-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18(2)5-6-22-14-8-19(13-10-21-9-12(13)14)15(20)11-3-4-16-17-7-11/h3-4,7,12-14H,5-6,8-10H2,1-2H3/t12-,13+,14+/m1/s1.
What are the key properties of [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone?
[(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aR)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 134690420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).