2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione

C10H6N6O2 — CID 50883390

IUPAC2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione
SMILESNc1nnnn1N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H6N6O2/c11-10-12-14-15-16(10)13-7-8(17)5-3-1-2-4-6(5)9(7)18/h1-4H,(H2,11,12,15)
InChIKeyQTMIWMYTQOQSGK-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.63
Rot. Bonds1

About 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione

2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione (PubChem CID 50883390) has the molecular formula C10H6N6O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione
PubChem CID50883390
Molecular FormulaC10H6N6O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione
SMILESNc1nnnn1N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H6N6O2/c11-10-12-14-15-16(10)13-7-8(17)5-3-1-2-4-6(5)9(7)18/h1-4H,(H2,11,12,15)
InChIKeyQTMIWMYTQOQSGK-UHFFFAOYSA-N
XLogP-1.63
TPSA116.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione?
The IUPAC name of 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione (CID 50883390) is 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione is Nc1nnnn1N=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione?
The InChIKey is QTMIWMYTQOQSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O2/c11-10-12-14-15-16(10)13-7-8(17)5-3-1-2-4-6(5)9(7)18/h1-4H,(H2,11,12,15).
What are the key properties of 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione?
2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione has a molecular weight of 242.20 g/mol, XLogP of -1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)iminoindene-1,3-dione is sourced from PubChem (CID 50883390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).