(8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine

C7H11N3 — CID 166801110

IUPAC(8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine
SMILESC1=CNC2=NCCN[C@H]2C1
InChIInChI=1S/C7H11N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1,3,6,8H,2,4-5H2,(H,9,10)/t6-/m0/s1
InChIKeyYCSZTFYHHFFMMB-LURJTMIESA-N
MW137.19 g/mol
LogP-0.14
Rot. Bonds

About (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine

(8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine (PubChem CID 166801110) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name(8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine
PubChem CID166801110
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine
SMILESC1=CNC2=NCCN[C@H]2C1
InChIInChI=1S/C7H11N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1,3,6,8H,2,4-5H2,(H,9,10)/t6-/m0/s1
InChIKeyYCSZTFYHHFFMMB-LURJTMIESA-N
XLogP-0.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine?
The IUPAC name of (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine (CID 166801110) is (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine.
What is the SMILES notation for (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine?
The canonical SMILES for (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine is C1=CNC2=NCCN[C@H]2C1.
What is the InChIKey of (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine?
The InChIKey is YCSZTFYHHFFMMB-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1,3,6,8H,2,4-5H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine?
(8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine has a molecular weight of 137.19 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 166801110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).