6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one

C15H14N6O2 — CID 151683955

IUPAC6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1Cc1nc(C2[C@H]3CNC[C@@H]23)no1
InChIInChI=1S/C15H14N6O2/c22-15-8-2-1-3-17-11(8)6-18-21(15)7-12-19-14(20-23-12)13-9-4-16-5-10(9)13/h1-3,6,9-10,13,16H,4-5,7H2/t9-,10+,13?
InChIKeyRBDAEAMZBISKJS-HWYHXSKPSA-N
MW310.32 g/mol
LogP0.16
Rot. Bonds3

About 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one

6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 151683955) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
PubChem CID151683955
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1Cc1nc(C2[C@H]3CNC[C@@H]23)no1
InChIInChI=1S/C15H14N6O2/c22-15-8-2-1-3-17-11(8)6-18-21(15)7-12-19-14(20-23-12)13-9-4-16-5-10(9)13/h1-3,6,9-10,13,16H,4-5,7H2/t9-,10+,13?
InChIKeyRBDAEAMZBISKJS-HWYHXSKPSA-N
XLogP0.16
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one with MolForge

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Related Compounds

tert-butyl (1R,5S)-6-[5-[(5-oxopyrido[2,3-d]pyridazin-6-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 150979145
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrido[2,3-d]pyridazin-5-one
CID 142422054
3-[[3-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one
CID 153307125
6-[[3-[3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
CID 149496879
3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one
CID 142422936
1-[[3-[(1S,5R)-3-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 142422939
3-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 120959553
1-methyl-6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-one
CID 159377704
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride
CID 120956611
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 47009329
4-methyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 97437342
6-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,6-naphthyridin-5-one
CID 72941227

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one (CID 151683955) is 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one is O=c1c2cccnc2cnn1Cc1nc(C2[C@H]3CNC[C@@H]23)no1.
What is the InChIKey of 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
The InChIKey is RBDAEAMZBISKJS-HWYHXSKPSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-15-8-2-1-3-17-11(8)6-18-21(15)7-12-19-14(20-23-12)13-9-4-16-5-10(9)13/h1-3,6,9-10,13,16H,4-5,7H2/t9-,10+,13?.
What are the key properties of 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?
6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 310.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 151683955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).