7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one

C19H18N4O2 — CID 167785143

IUPAC7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2cc(OCc3cnn(-c4ccccc4)n3)ccc21
InChIInChI=1S/C19H18N4O2/c24-19-18-9-8-17(11-14(18)5-4-10-20-19)25-13-15-12-21-23(22-15)16-6-2-1-3-7-16/h1-3,6-9,11-12H,4-5,10,13H2,(H,20,24)
InChIKeyWCJUZYJHIWLGKQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.52
Rot. Bonds4

About 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one

7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 167785143) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID167785143
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESO=C1NCCCc2cc(OCc3cnn(-c4ccccc4)n3)ccc21
InChIInChI=1S/C19H18N4O2/c24-19-18-9-8-17(11-14(18)5-4-10-20-19)25-13-15-12-21-23(22-15)16-6-2-1-3-7-16/h1-3,6-9,11-12H,4-5,10,13H2,(H,20,24)
InChIKeyWCJUZYJHIWLGKQ-UHFFFAOYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 167785143) is 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one is O=C1NCCCc2cc(OCc3cnn(-c4ccccc4)n3)ccc21.
What is the InChIKey of 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is WCJUZYJHIWLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19-18-9-8-17(11-14(18)5-4-10-20-19)25-13-15-12-21-23(22-15)16-6-2-1-3-7-16/h1-3,6-9,11-12H,4-5,10,13H2,(H,20,24).
What are the key properties of 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one?
7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 334.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-phenyltriazol-4-yl)methoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 167785143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).