1-phenyltetrazole-5-selenol

C7H6N4Se — CID 173399228

IUPAC1-phenyltetrazole-5-selenol
SMILES[SeH]c1nnnn1-c1ccccc1
InChIInChI=1S/C7H6N4Se/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChIKeyYTOLJEUXTDOVFR-UHFFFAOYSA-N
MW225.11 g/mol
LogP-0.81
Rot. Bonds1

About 1-phenyltetrazole-5-selenol

1-phenyltetrazole-5-selenol (PubChem CID 173399228) has the molecular formula C7H6N4Se and a molecular weight of 225.11 g/mol. Its IUPAC name is 1-phenyltetrazole-5-selenol.

Molecular Properties

Compound Name1-phenyltetrazole-5-selenol
PubChem CID173399228
Molecular FormulaC7H6N4Se
Molecular Weight225.11 g/mol
Exact Mass225.98
IUPAC Name1-phenyltetrazole-5-selenol
SMILES[SeH]c1nnnn1-c1ccccc1
InChIInChI=1S/C7H6N4Se/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChIKeyYTOLJEUXTDOVFR-UHFFFAOYSA-N
XLogP-0.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
azanium 1-phenyltetrazole-5-thiolate
CID 15902281
5-ethenyl-1-phenyltetrazole
CID 12753529
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
1-phenyltetrazole-5-carbonitrile
CID 12718731
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
N-methyl-2-(1-phenyltetrazol-5-yl)propan-2-amine
CID 53009736
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210

Frequently Asked Questions

What is the IUPAC name of 1-phenyltetrazole-5-selenol?
The IUPAC name of 1-phenyltetrazole-5-selenol (CID 173399228) is 1-phenyltetrazole-5-selenol.
What is the SMILES notation for 1-phenyltetrazole-5-selenol?
The canonical SMILES for 1-phenyltetrazole-5-selenol is [SeH]c1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyltetrazole-5-selenol?
The InChIKey is YTOLJEUXTDOVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4Se/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12).
What are the key properties of 1-phenyltetrazole-5-selenol?
1-phenyltetrazole-5-selenol has a molecular weight of 225.11 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyltetrazole-5-selenol is sourced from PubChem (CID 173399228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).