1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine

C15H18N4O — CID 107380160

IUPAC1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCOc3ccccc3C2)cn1
InChIInChI=1S/C15H18N4O/c1-16-8-13-9-18-15(10-17-13)19-6-7-20-14-5-3-2-4-12(14)11-19/h2-5,9-10,16H,6-8,11H2,1H3
InChIKeyXUQOYOKPDGRDNI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.60
Rot. Bonds3

About 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine

1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 107380160) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine
PubChem CID107380160
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCOc3ccccc3C2)cn1
InChIInChI=1S/C15H18N4O/c1-16-8-13-9-18-15(10-17-13)19-6-7-20-14-5-3-2-4-12(14)11-19/h2-5,9-10,16H,6-8,11H2,1H3
InChIKeyXUQOYOKPDGRDNI-UHFFFAOYSA-N
XLogP1.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine (CID 107380160) is 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine is CNCc1cnc(N2CCOc3ccccc3C2)cn1.
What is the InChIKey of 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is XUQOYOKPDGRDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-8-13-9-18-15(10-17-13)19-6-7-20-14-5-3-2-4-12(14)11-19/h2-5,9-10,16H,6-8,11H2,1H3.
What are the key properties of 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine?
1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 270.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107380160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).