5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine

C12H18N4O — CID 80653626

IUPAC5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCOC3CCCCC32)cn1
InChIInChI=1S/C12H18N4O/c13-11-7-15-12(8-14-11)16-5-6-17-10-4-2-1-3-9(10)16/h7-10H,1-6H2,(H2,13,14)
InChIKeyZRMSCYLWXOYYEK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds1

About 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine (PubChem CID 80653626) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
PubChem CID80653626
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCOC3CCCCC32)cn1
InChIInChI=1S/C12H18N4O/c13-11-7-15-12(8-14-11)16-5-6-17-10-4-2-1-3-9(10)16/h7-10H,1-6H2,(H2,13,14)
InChIKeyZRMSCYLWXOYYEK-UHFFFAOYSA-N
XLogP1.21
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine?
The IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine (CID 80653626) is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine?
The canonical SMILES for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine is Nc1cnc(N2CCOC3CCCCC32)cn1.
What is the InChIKey of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine?
The InChIKey is ZRMSCYLWXOYYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11-7-15-12(8-14-11)16-5-6-17-10-4-2-1-3-9(10)16/h7-10H,1-6H2,(H2,13,14).
What are the key properties of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine?
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 80653626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).