(1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane

C11H16N4 — CID 67116692

IUPAC(1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane
SMILESCc1cnc(N2C[C@@H]3CCNC[C@@H]32)cn1
InChIInChI=1S/C11H16N4/c1-8-4-14-11(6-13-8)15-7-9-2-3-12-5-10(9)15/h4,6,9-10,12H,2-3,5,7H2,1H3/t9-,10-/m0/s1
InChIKeyWYAFOPLDMVAVMW-UWVGGRQHSA-N
MW204.28 g/mol
LogP0.58
Rot. Bonds1

About (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane

(1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane (PubChem CID 67116692) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane
PubChem CID67116692
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name(1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane
SMILESCc1cnc(N2C[C@@H]3CCNC[C@@H]32)cn1
InChIInChI=1S/C11H16N4/c1-8-4-14-11(6-13-8)15-7-9-2-3-12-5-10(9)15/h4,6,9-10,12H,2-3,5,7H2,1H3/t9-,10-/m0/s1
InChIKeyWYAFOPLDMVAVMW-UWVGGRQHSA-N
XLogP0.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 67116915
(1S,6S)-7-(6-methyl-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 66757627
8-(4-methylphenyl)-3,8-diazabicyclo[4.2.0]octane
CID 70266351
(1R,5S)-6-(6-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 66757631
(1R,6S)-8-(5,6-dichloro-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane;4-methylbenzenesulfonic acid
CID 86594332
1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol
CID 123922310
7-(6-chloro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 22647012
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
1-(6-bromo-1,2,4-triazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 171553416
(3aS,7aR)-1-(5-chloro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 169123246
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
(1S,6S)-7-(5,6-dichloro-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 87137238

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane?
The IUPAC name of (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane (CID 67116692) is (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane is Cc1cnc(N2C[C@@H]3CCNC[C@@H]32)cn1.
What is the InChIKey of (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane?
The InChIKey is WYAFOPLDMVAVMW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-4-14-11(6-13-8)15-7-9-2-3-12-5-10(9)15/h4,6,9-10,12H,2-3,5,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane?
(1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane has a molecular weight of 204.28 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 67116692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).