4-(tetrazol-1-yl)phenolate

C7H5N4O- — CID 101371881

IUPAC4-(tetrazol-1-yl)phenolate
SMILES[O-]c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C7H6N4O/c12-7-3-1-6(2-4-7)11-5-8-9-10-11/h1-5,12H/p-1
InChIKeyAXJKWXIVFCNRCQ-UHFFFAOYSA-M
MW161.14 g/mol
LogP-0.26
Rot. Bonds1

About 4-(tetrazol-1-yl)phenolate

4-(tetrazol-1-yl)phenolate (PubChem CID 101371881) has the molecular formula C7H5N4O- and a molecular weight of 161.14 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)phenolate.

Molecular Properties

Compound Name4-(tetrazol-1-yl)phenolate
PubChem CID101371881
Molecular FormulaC7H5N4O-
Molecular Weight161.14 g/mol
Exact Mass161.05
IUPAC Name4-(tetrazol-1-yl)phenolate
SMILES[O-]c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C7H6N4O/c12-7-3-1-6(2-4-7)11-5-8-9-10-11/h1-5,12H/p-1
InChIKeyAXJKWXIVFCNRCQ-UHFFFAOYSA-M
XLogP-0.26
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)tetrazole
CID 825628
4-(tetrazol-1-yl)benzaldehyde
CID 55266152
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
sodium 4-(tetrazol-1-yl)benzenesulfinate
CID 165454670
1-(4-ethenylsulfonylphenyl)tetrazole
CID 102223380
2,4-bis(tetrazol-1-yl)phenol
CID 29060335
1-[4-(chloromethylsulfanyl)phenyl]tetrazole
CID 21423225
1-[4-(2-methylpropyl)phenyl]tetrazole
CID 153454015
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)phenolate?
The IUPAC name of 4-(tetrazol-1-yl)phenolate (CID 101371881) is 4-(tetrazol-1-yl)phenolate.
What is the SMILES notation for 4-(tetrazol-1-yl)phenolate?
The canonical SMILES for 4-(tetrazol-1-yl)phenolate is [O-]c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)phenolate?
The InChIKey is AXJKWXIVFCNRCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N4O/c12-7-3-1-6(2-4-7)11-5-8-9-10-11/h1-5,12H/p-1.
What are the key properties of 4-(tetrazol-1-yl)phenolate?
4-(tetrazol-1-yl)phenolate has a molecular weight of 161.14 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)phenolate is sourced from PubChem (CID 101371881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).