5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine

C13H20N4O — CID 122666637

IUPAC5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine
SMILESNc1ccc(CN2CCN3CCOC[C@H]3C2)cn1
InChIInChI=1S/C13H20N4O/c14-13-2-1-11(7-15-13)8-16-3-4-17-5-6-18-10-12(17)9-16/h1-2,7,12H,3-6,8-10H2,(H2,14,15)/t12-/m1/s1
InChIKeyGRYUJKIBYLTJIF-GFCCVEGCSA-N
MW248.33 g/mol
LogP0.18
Rot. Bonds2

About 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine

5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine (PubChem CID 122666637) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine
PubChem CID122666637
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine
SMILESNc1ccc(CN2CCN3CCOC[C@H]3C2)cn1
InChIInChI=1S/C13H20N4O/c14-13-2-1-11(7-15-13)8-16-3-4-17-5-6-18-10-12(17)9-16/h1-2,7,12H,3-6,8-10H2,(H2,14,15)/t12-/m1/s1
InChIKeyGRYUJKIBYLTJIF-GFCCVEGCSA-N
XLogP0.18
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine (CID 122666637) is 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine is Nc1ccc(CN2CCN3CCOC[C@H]3C2)cn1.
What is the InChIKey of 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine?
The InChIKey is GRYUJKIBYLTJIF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13-2-1-11(7-15-13)8-16-3-4-17-5-6-18-10-12(17)9-16/h1-2,7,12H,3-6,8-10H2,(H2,14,15)/t12-/m1/s1.
What are the key properties of 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine?
5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 122666637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).