(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine

C8H18N4 — CID 23279569

IUPAC(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine
SMILESC[C@H]1CN[C@H]2N[C@@H](C)CN[C@@H]2N1
InChIInChI=1S/C8H18N4/c1-5-3-9-8-7(11-5)10-4-6(2)12-8/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8+/m0/s1
InChIKeyLYGGRLTYCRTJOP-DKXJUACHSA-N
MW170.26 g/mol
LogP-1.20
Rot. Bonds

About (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine

(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine (PubChem CID 23279569) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine.

Molecular Properties

Compound Name(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine
PubChem CID23279569
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine
SMILESC[C@H]1CN[C@H]2N[C@@H](C)CN[C@@H]2N1
InChIInChI=1S/C8H18N4/c1-5-3-9-8-7(11-5)10-4-6(2)12-8/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8+/m0/s1
InChIKeyLYGGRLTYCRTJOP-DKXJUACHSA-N
XLogP-1.20
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine?
The IUPAC name of (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine (CID 23279569) is (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine.
What is the SMILES notation for (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine?
The canonical SMILES for (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine is C[C@H]1CN[C@H]2N[C@@H](C)CN[C@@H]2N1.
What is the InChIKey of (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine?
The InChIKey is LYGGRLTYCRTJOP-DKXJUACHSA-N. The full InChI is InChI=1S/C8H18N4/c1-5-3-9-8-7(11-5)10-4-6(2)12-8/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8+/m0/s1.
What are the key properties of (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine?
(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine has a molecular weight of 170.26 g/mol, XLogP of -1.20, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine is sourced from PubChem (CID 23279569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).