3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one

C14H15N3O — CID 113243808

IUPAC3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCc2ccccc2C1
InChIInChI=1S/C14H15N3O/c18-14-13(15-7-8-16-14)17-9-3-6-11-4-1-2-5-12(11)10-17/h1-2,4-5,7-8H,3,6,9-10H2,(H,16,18)
InChIKeyQWLDMYPAMQYZRV-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.72
Rot. Bonds1

About 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one

3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one (PubChem CID 113243808) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one
PubChem CID113243808
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCc2ccccc2C1
InChIInChI=1S/C14H15N3O/c18-14-13(15-7-8-16-14)17-9-3-6-11-4-1-2-5-12(11)10-17/h1-2,4-5,7-8H,3,6,9-10H2,(H,16,18)
InChIKeyQWLDMYPAMQYZRV-UHFFFAOYSA-N
XLogP1.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one (CID 113243808) is 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCCc2ccccc2C1.
What is the InChIKey of 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one?
The InChIKey is QWLDMYPAMQYZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-13(15-7-8-16-14)17-9-3-6-11-4-1-2-5-12(11)10-17/h1-2,4-5,7-8H,3,6,9-10H2,(H,16,18).
What are the key properties of 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one?
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 113243808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).