3-(2H-tetrazol-5-yl)xanthen-9-one

C14H8N4O2 — CID 10635314

IUPAC3-(2H-tetrazol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3nn[nH]n3)ccc12
InChIInChI=1S/C14H8N4O2/c19-13-9-3-1-2-4-11(9)20-12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)
InChIKeyAOFYKQRNJOGDLE-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.13
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)xanthen-9-one

3-(2H-tetrazol-5-yl)xanthen-9-one (PubChem CID 10635314) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)xanthen-9-one.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)xanthen-9-one
PubChem CID10635314
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name3-(2H-tetrazol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3nn[nH]n3)ccc12
InChIInChI=1S/C14H8N4O2/c19-13-9-3-1-2-4-11(9)20-12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)
InChIKeyAOFYKQRNJOGDLE-UHFFFAOYSA-N
XLogP2.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)xanthen-9-one?
The IUPAC name of 3-(2H-tetrazol-5-yl)xanthen-9-one (CID 10635314) is 3-(2H-tetrazol-5-yl)xanthen-9-one.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)xanthen-9-one?
The canonical SMILES for 3-(2H-tetrazol-5-yl)xanthen-9-one is O=c1c2ccccc2oc2cc(-c3nn[nH]n3)ccc12.
What is the InChIKey of 3-(2H-tetrazol-5-yl)xanthen-9-one?
The InChIKey is AOFYKQRNJOGDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c19-13-9-3-1-2-4-11(9)20-12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18).
What are the key properties of 3-(2H-tetrazol-5-yl)xanthen-9-one?
3-(2H-tetrazol-5-yl)xanthen-9-one has a molecular weight of 264.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)xanthen-9-one is sourced from PubChem (CID 10635314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).