potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione

C20H15KN6O2 — CID 173380754

IUPACpotassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
SMILESO=C1CC(=O)N(c2cccc(-c3nn[nH]n3)c2)c2ccc3ccccc3c2N1.[H-].[K+]
InChIInChI=1S/C20H14N6O2.K.H/c27-17-11-18(28)26(14-6-3-5-13(10-14)20-22-24-25-23-20)16-9-8-12-4-1-2-7-15(12)19(16)21-17;;/h1-10H,11H2,(H,21,27)(H,22,23,24,25);;/q;+1;-1
InChIKeyCVJFLBKPUHQMRQ-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.14
Rot. Bonds2

About potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione

potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione (PubChem CID 173380754) has the molecular formula C20H15KN6O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione.

Molecular Properties

Compound Namepotassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
PubChem CID173380754
Molecular FormulaC20H15KN6O2
Molecular Weight410.48 g/mol
Exact Mass410.09
IUPAC Namepotassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
SMILESO=C1CC(=O)N(c2cccc(-c3nn[nH]n3)c2)c2ccc3ccccc3c2N1.[H-].[K+]
InChIInChI=1S/C20H14N6O2.K.H/c27-17-11-18(28)26(14-6-3-5-13(10-14)20-22-24-25-23-20)16-9-8-12-4-1-2-7-15(12)19(16)21-17;;/h1-10H,11H2,(H,21,27)(H,22,23,24,25);;/q;+1;-1
InChIKeyCVJFLBKPUHQMRQ-UHFFFAOYSA-N
XLogP0.14
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
The IUPAC name of potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione (CID 173380754) is potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione.
What is the SMILES notation for potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
The canonical SMILES for potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione is O=C1CC(=O)N(c2cccc(-c3nn[nH]n3)c2)c2ccc3ccccc3c2N1.[H-].[K+].
What is the InChIKey of potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
The InChIKey is CVJFLBKPUHQMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2.K.H/c27-17-11-18(28)26(14-6-3-5-13(10-14)20-22-24-25-23-20)16-9-8-12-4-1-2-7-15(12)19(16)21-17;;/h1-10H,11H2,(H,21,27)(H,22,23,24,25);;/q;+1;-1.
What are the key properties of potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione has a molecular weight of 410.48 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;5-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione is sourced from PubChem (CID 173380754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).