2-(2H-tetrazol-5-ylimino)indene-1,3-dione

C10H5N5O2 — CID 5338641

IUPAC2-(2H-tetrazol-5-ylimino)indene-1,3-dione
SMILESO=c1c(=Nc2nn[nH]n2)c(=O)c2ccccc12
InChIInChI=1S/C10H5N5O2/c16-8-5-3-1-2-4-6(5)9(17)7(8)11-10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
InChIKeyJVBYPNOALSKFQZ-UHFFFAOYSA-N
MW227.18 g/mol
LogP-0.82
Rot. Bonds1

About 2-(2H-tetrazol-5-ylimino)indene-1,3-dione

2-(2H-tetrazol-5-ylimino)indene-1,3-dione (PubChem CID 5338641) has the molecular formula C10H5N5O2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylimino)indene-1,3-dione.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylimino)indene-1,3-dione
PubChem CID5338641
Molecular FormulaC10H5N5O2
Molecular Weight227.18 g/mol
Exact Mass227.04
IUPAC Name2-(2H-tetrazol-5-ylimino)indene-1,3-dione
SMILESO=c1c(=Nc2nn[nH]n2)c(=O)c2ccccc12
InChIInChI=1S/C10H5N5O2/c16-8-5-3-1-2-4-6(5)9(17)7(8)11-10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
InChIKeyJVBYPNOALSKFQZ-UHFFFAOYSA-N
XLogP-0.82
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylimino)indene-1,3-dione?
The IUPAC name of 2-(2H-tetrazol-5-ylimino)indene-1,3-dione (CID 5338641) is 2-(2H-tetrazol-5-ylimino)indene-1,3-dione.
What is the SMILES notation for 2-(2H-tetrazol-5-ylimino)indene-1,3-dione?
The canonical SMILES for 2-(2H-tetrazol-5-ylimino)indene-1,3-dione is O=c1c(=Nc2nn[nH]n2)c(=O)c2ccccc12.
What is the InChIKey of 2-(2H-tetrazol-5-ylimino)indene-1,3-dione?
The InChIKey is JVBYPNOALSKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N5O2/c16-8-5-3-1-2-4-6(5)9(17)7(8)11-10-12-14-15-13-10/h1-4H,(H,12,13,14,15).
What are the key properties of 2-(2H-tetrazol-5-ylimino)indene-1,3-dione?
2-(2H-tetrazol-5-ylimino)indene-1,3-dione has a molecular weight of 227.18 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylimino)indene-1,3-dione is sourced from PubChem (CID 5338641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).