[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone

C13H17N3O2 — CID 98187752

IUPAC[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)nn1
InChIInChI=1S/C13H17N3O2/c1-13(2)8-6-16(7-9(8)13)12(17)10-4-5-11(18-3)15-14-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyYFDWBLIIPJXINY-IUCAKERBSA-N
MW247.30 g/mol
LogP1.21
Rot. Bonds2

About [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone

[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone (PubChem CID 98187752) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone.

Molecular Properties

Compound Name[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone
PubChem CID98187752
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone
SMILESCOc1ccc(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)nn1
InChIInChI=1S/C13H17N3O2/c1-13(2)8-6-16(7-9(8)13)12(17)10-4-5-11(18-3)15-14-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyYFDWBLIIPJXINY-IUCAKERBSA-N
XLogP1.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone with MolForge

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
CID 139006520
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
CID 71873411
(2,2-dimethyl-4-phenylpyrrolidin-1-yl)-(6-methoxypyridazin-3-yl)methanone
CID 138024531
[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 100893285
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methoxypyridazin-3-yl)methanone
CID 98355940
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
4-[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]benzoic acid
CID 125132624
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897
5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)thiophene-2-carboxylic acid
CID 119186671
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone?
The IUPAC name of [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone (CID 98187752) is [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone.
What is the SMILES notation for [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone?
The canonical SMILES for [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone is COc1ccc(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)nn1.
What is the InChIKey of [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone?
The InChIKey is YFDWBLIIPJXINY-IUCAKERBSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)8-6-16(7-9(8)13)12(17)10-4-5-11(18-3)15-14-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone?
[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-(6-methoxypyridazin-3-yl)methanone is sourced from PubChem (CID 98187752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).