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

C10H6N6O2 — CID 785286

IUPAC2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione
SMILESO=c1c(=NNc2nn[nH]n2)c(=O)c2ccccc12
InChIInChI=1S/C10H6N6O2/c17-8-5-3-1-2-4-6(5)9(18)7(8)11-12-10-13-15-16-14-10/h1-4H,(H2,12,13,14,15,16)
InChIKeyKPMKFZADMYKOGO-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.12
Rot. Bonds2

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

2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione (PubChem CID 785286) has the molecular formula C10H6N6O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione
PubChem CID785286
Molecular FormulaC10H6N6O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione
SMILESO=c1c(=NNc2nn[nH]n2)c(=O)c2ccccc12
InChIInChI=1S/C10H6N6O2/c17-8-5-3-1-2-4-6(5)9(18)7(8)11-12-10-13-15-16-14-10/h1-4H,(H2,12,13,14,15,16)
InChIKeyKPMKFZADMYKOGO-UHFFFAOYSA-N
XLogP-1.12
TPSA112.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione?
The IUPAC name of 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione (CID 785286) is 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione.
What is the SMILES notation for 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione?
The canonical SMILES for 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione is O=c1c(=NNc2nn[nH]n2)c(=O)c2ccccc12.
What is the InChIKey of 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione?
The InChIKey is KPMKFZADMYKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O2/c17-8-5-3-1-2-4-6(5)9(18)7(8)11-12-10-13-15-16-14-10/h1-4H,(H2,12,13,14,15,16).
What are the key properties of 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione?
2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione has a molecular weight of 242.20 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylhydrazinylidene)indene-1,3-dione is sourced from PubChem (CID 785286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).