7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

C17H11N5O2 — CID 18697749

IUPAC7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESO=c1[nH]c2cc(/C=C/c3ccccn3)ccc2c(=O)c2n[nH]nc12
InChIInChI=1S/C17H11N5O2/c23-16-12-7-5-10(4-6-11-3-1-2-8-18-11)9-13(12)19-17(24)15-14(16)20-22-21-15/h1-9H,(H,19,24)(H,20,21,22)/b6-4+
InChIKeyFTHPJDVCJUGYLV-GQCTYLIASA-N
MW317.31 g/mol
LogP1.73
Rot. Bonds2

About 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (PubChem CID 18697749) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.

Molecular Properties

Compound Name7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
PubChem CID18697749
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESO=c1[nH]c2cc(/C=C/c3ccccn3)ccc2c(=O)c2n[nH]nc12
InChIInChI=1S/C17H11N5O2/c23-16-12-7-5-10(4-6-11-3-1-2-8-18-11)9-13(12)19-17(24)15-14(16)20-22-21-15/h1-9H,(H,19,24)(H,20,21,22)/b6-4+
InChIKeyFTHPJDVCJUGYLV-GQCTYLIASA-N
XLogP1.73
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The IUPAC name of 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (CID 18697749) is 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.
What is the SMILES notation for 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The canonical SMILES for 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is O=c1[nH]c2cc(/C=C/c3ccccn3)ccc2c(=O)c2n[nH]nc12.
What is the InChIKey of 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The InChIKey is FTHPJDVCJUGYLV-GQCTYLIASA-N. The full InChI is InChI=1S/C17H11N5O2/c23-16-12-7-5-10(4-6-11-3-1-2-8-18-11)9-13(12)19-17(24)15-14(16)20-22-21-15/h1-9H,(H,19,24)(H,20,21,22)/b6-4+.
What are the key properties of 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione has a molecular weight of 317.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-pyridin-2-ylethenyl]-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is sourced from PubChem (CID 18697749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).