1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine

C11H13N3O — CID 142373707

IUPAC1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)OCC1=CNCCN12
InChIInChI=1S/C11H13N3O/c12-8-1-2-10-11(5-8)15-7-9-6-13-3-4-14(9)10/h1-2,5-6,13H,3-4,7,12H2
InChIKeyBJRUQWUYARQRDQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.91
Rot. Bonds

About 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine

1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine (PubChem CID 142373707) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine.

Molecular Properties

Compound Name1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
PubChem CID142373707
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
SMILESNc1ccc2c(c1)OCC1=CNCCN12
InChIInChI=1S/C11H13N3O/c12-8-1-2-10-11(5-8)15-7-9-6-13-3-4-14(9)10/h1-2,5-6,13H,3-4,7,12H2
InChIKeyBJRUQWUYARQRDQ-UHFFFAOYSA-N
XLogP0.91
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 8-amino-2,5-dihydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;methanethiol
CID 145330781
(4aR)-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 155139792
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 84620557
6-acetyl-8-cyclopentyl-5-methyl-2-(1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 163581211
7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine
CID 142949804
7-amino-4-(2-methylsulfonylethyl)-1,4-benzoxazin-3-one
CID 62988238
7-amino-4-(2-ethylsulfonylethyl)-1,4-benzoxazin-3-one
CID 55154456
7-amino-4-[(E)-but-2-enyl]-1,4-benzoxazin-3-one
CID 107900545
7-amino-4-(2-hydroxy-2-methylpropyl)-1,4-benzoxazin-3-one
CID 122687922
7-amino-4H-1,4-benzoxazine-3-thione
CID 86593929
5-amino-1-benzofuran-3-one
CID 51138323
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine?
The IUPAC name of 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine (CID 142373707) is 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine.
What is the SMILES notation for 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine?
The canonical SMILES for 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine is Nc1ccc2c(c1)OCC1=CNCCN12.
What is the InChIKey of 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine?
The InChIKey is BJRUQWUYARQRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-8-1-2-10-11(5-8)15-7-9-6-13-3-4-14(9)10/h1-2,5-6,13H,3-4,7,12H2.
What are the key properties of 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine?
1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine has a molecular weight of 203.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-8-amine is sourced from PubChem (CID 142373707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).