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

C15H18N4O — CID 107380756

IUPAC1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCOc3ccccc32)cn1
InChIInChI=1S/C15H18N4O/c1-16-9-12-10-18-15(11-17-12)19-7-4-8-20-14-6-3-2-5-13(14)19/h2-3,5-6,10-11,16H,4,7-9H2,1H3
InChIKeyXHOQVFUHCYCTNQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.12
Rot. Bonds3

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

1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 107380756) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine
PubChem CID107380756
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCOc3ccccc32)cn1
InChIInChI=1S/C15H18N4O/c1-16-9-12-10-18-15(11-17-12)19-7-4-8-20-14-6-3-2-5-13(14)19/h2-3,5-6,10-11,16H,4,7-9H2,1H3
InChIKeyXHOQVFUHCYCTNQ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107380160
[5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-pyridinyl]methanol
CID 114920488
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridin-4-amine
CID 113366545
5-(5-iodopyrimidin-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine
CID 116649056
5-[(5-chloropyrazin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 103054385
[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510701
3-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-4-carbonitrile
CID 107058306
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 107378764
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62280507
1-[5-(chloromethyl)pyrazin-2-yl]-2,3,4,5-tetrahydro-1-benzazepine
CID 107373522
1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107379977
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-methylpentan-1-amine
CID 113366656

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine (CID 107380756) is 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine is CNCc1cnc(N2CCCOc3ccccc32)cn1.
What is the InChIKey of 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is XHOQVFUHCYCTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-9-12-10-18-15(11-17-12)19-7-4-8-20-14-6-3-2-5-13(14)19/h2-3,5-6,10-11,16H,4,7-9H2,1H3.
What are the key properties of 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine?
1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 270.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107380756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).