6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C12H10N6O2 — CID 11076488

IUPAC6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3cc(-c4nn[nH]n4)ccc32)N1
InChIInChI=1S/C12H10N6O2/c19-10-12(14-11(20)13-10)4-3-6-5-7(1-2-8(6)12)9-15-17-18-16-9/h1-2,5H,3-4H2,(H2,13,14,19,20)(H,15,16,17,18)
InChIKeyYETQIAYFFLRXOJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.15
Rot. Bonds1

About 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 11076488) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID11076488
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCc3cc(-c4nn[nH]n4)ccc32)N1
InChIInChI=1S/C12H10N6O2/c19-10-12(14-11(20)13-10)4-3-6-5-7(1-2-8(6)12)9-15-17-18-16-9/h1-2,5H,3-4H2,(H2,13,14,19,20)(H,15,16,17,18)
InChIKeyYETQIAYFFLRXOJ-UHFFFAOYSA-N
XLogP-0.15
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 11076488) is 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCc3cc(-c4nn[nH]n4)ccc32)N1.
What is the InChIKey of 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is YETQIAYFFLRXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c19-10-12(14-11(20)13-10)4-3-6-5-7(1-2-8(6)12)9-15-17-18-16-9/h1-2,5H,3-4H2,(H2,13,14,19,20)(H,15,16,17,18).
What are the key properties of 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 270.25 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-tetrazol-5-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 11076488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).