1-(2H-tetrazol-5-yl)xanthen-9-one

C14H8N4O2 — CID 154341759

IUPAC1-(2H-tetrazol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(-c3nn[nH]n3)c12
InChIInChI=1S/C14H8N4O2/c19-13-8-4-1-2-6-10(8)20-11-7-3-5-9(12(11)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)
InChIKeyAQFRPTUOODKFBJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.13
Rot. Bonds1

About 1-(2H-tetrazol-5-yl)xanthen-9-one

1-(2H-tetrazol-5-yl)xanthen-9-one (PubChem CID 154341759) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)xanthen-9-one.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)xanthen-9-one
PubChem CID154341759
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name1-(2H-tetrazol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cccc(-c3nn[nH]n3)c12
InChIInChI=1S/C14H8N4O2/c19-13-8-4-1-2-6-10(8)20-11-7-3-5-9(12(11)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)
InChIKeyAQFRPTUOODKFBJ-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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Related Compounds

1-(4-chlorophenyl)xanthen-9-one
CID 168812432
1-(2-benzoylphenyl)xanthen-9-one
CID 67637668
1-(1H-indol-2-yl)xanthen-9-one
CID 134824217
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
propane;xanthen-9-one
CID 90876458
1-benzylxanthen-9-one
CID 18759523
9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
CID 6102777
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
2-phenyl-6-(2H-tetrazol-5-yl)chromen-4-one
CID 2817492
7-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxylic acid
CID 169234893
1-aminooxyxanthen-9-one
CID 163930862
1,3-dihydroxyxanthen-9-one
CID 5488193

Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)xanthen-9-one?
The IUPAC name of 1-(2H-tetrazol-5-yl)xanthen-9-one (CID 154341759) is 1-(2H-tetrazol-5-yl)xanthen-9-one.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)xanthen-9-one?
The canonical SMILES for 1-(2H-tetrazol-5-yl)xanthen-9-one is O=c1c2ccccc2oc2cccc(-c3nn[nH]n3)c12.
What is the InChIKey of 1-(2H-tetrazol-5-yl)xanthen-9-one?
The InChIKey is AQFRPTUOODKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c19-13-8-4-1-2-6-10(8)20-11-7-3-5-9(12(11)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18).
What are the key properties of 1-(2H-tetrazol-5-yl)xanthen-9-one?
1-(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 1-(2H-tetrazol-5-yl)xanthen-9-one is sourced from PubChem (CID 154341759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).