3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C12H17N3O — CID 67462180

IUPAC3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nccnc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H17N3O/c1-8-11(14-5-4-13-8)12(16)6-9-2-3-10(7-12)15-9/h4-5,9-10,15-16H,2-3,6-7H2,1H3
InChIKeyKXVLHSXMXXOVBP-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.89
Rot. Bonds1

About 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 67462180) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID67462180
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nccnc1C1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H17N3O/c1-8-11(14-5-4-13-8)12(16)6-9-2-3-10(7-12)15-9/h4-5,9-10,15-16H,2-3,6-7H2,1H3
InChIKeyKXVLHSXMXXOVBP-UHFFFAOYSA-N
XLogP0.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Ethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 54315668
3-Pyrazin-2-yl-8-aza-bicyclo[3.2.1]octan-3-ol
CID 63969005
3-Hydroxy-3-(3-methyl-pyrazin-2-yl)-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
CID 67467267
6-(3-Methylpyrazin-2-yl)-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[b]pyridin-6-ol
CID 68209071
3-[Ethyl(methyl)amino]-1-pyrazin-2-ylcycloheptan-1-ol
CID 124033629
1-pyrazin-2-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol
CID 141116686
2-(3-Methylpyrazin-2-yl)pentan-2-ol
CID 141462711
Tert-butyl 3-(3-ethylpyrazin-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 147214576
8-Methyl-3-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 156244839
3-Methyl-2-piperidin-2-ylbutan-2-ol;3-methyl-2-pyrazin-2-ylbutan-2-ol
CID 160023097
N,2-dimethyl-2-(3-methylpyrazin-2-yl)oxan-4-amine
CID 108426912
N-ethyl-2-methyl-2-(3-methylpyrazin-2-yl)oxan-4-amine
CID 108426913

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 67462180) is 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1nccnc1C1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KXVLHSXMXXOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-11(14-5-4-13-8)12(16)6-9-2-3-10(7-12)15-9/h4-5,9-10,15-16H,2-3,6-7H2,1H3.
What are the key properties of 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 219.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 67462180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).