7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

C10H7N5O2 — CID 18697783

IUPAC7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESNc1ccc2c(=O)c3n[nH]nc3c(=O)[nH]c2c1
InChIInChI=1S/C10H7N5O2/c11-4-1-2-5-6(3-4)12-10(17)8-7(9(5)16)13-15-14-8/h1-3H,11H2,(H,12,17)(H,13,14,15)
InChIKeyIAPXIAUWVSXGMZ-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.26
Rot. Bonds

About 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (PubChem CID 18697783) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.

Molecular Properties

Compound Name7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
PubChem CID18697783
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESNc1ccc2c(=O)c3n[nH]nc3c(=O)[nH]c2c1
InChIInChI=1S/C10H7N5O2/c11-4-1-2-5-6(3-4)12-10(17)8-7(9(5)16)13-15-14-8/h1-3H,11H2,(H,12,17)(H,13,14,15)
InChIKeyIAPXIAUWVSXGMZ-UHFFFAOYSA-N
XLogP-0.26
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The IUPAC name of 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (CID 18697783) is 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.
What is the SMILES notation for 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The canonical SMILES for 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is Nc1ccc2c(=O)c3n[nH]nc3c(=O)[nH]c2c1.
What is the InChIKey of 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The InChIKey is IAPXIAUWVSXGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c11-4-1-2-5-6(3-4)12-10(17)8-7(9(5)16)13-15-14-8/h1-3H,11H2,(H,12,17)(H,13,14,15).
What are the key properties of 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione has a molecular weight of 229.20 g/mol, XLogP of -0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is sourced from PubChem (CID 18697783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).