3-(2H-tetrazol-5-yl)phenol

C7H6N4O — CID 13455763

IUPAC3-(2H-tetrazol-5-yl)phenol
SMILESOc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C7H6N4O/c12-6-3-1-2-5(4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChIKeyIZORRBUQWFSCII-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.57
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)phenol

3-(2H-tetrazol-5-yl)phenol (PubChem CID 13455763) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)phenol
PubChem CID13455763
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name3-(2H-tetrazol-5-yl)phenol
SMILESOc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C7H6N4O/c12-6-3-1-2-5(4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChIKeyIZORRBUQWFSCII-UHFFFAOYSA-N
XLogP0.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3'-(1,2,4,5-Tetrazine-3,6-diyl)diphenol
CID 269792
NoName_230
CID 135544530
4-(2-Methyl-2H-tetrazol-5-yl)phenol
CID 135648956
4-(1H-1,2,3,4-tetrazol-5-yl)phenol
CID 863634
5-(3-methoxyphenyl)-1H-1,2,3,4-tetrazole
CID 3498447
1,2-Benzenediol, 4-(2H-tetrazol-5-yl)-
CID 135648880
5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole
CID 2777350
5-(2H-tetrazol-5-yl)benzene-1,3-diol
CID 66560367
5-(1H-tetrazol-5-yl)benzene-1,2,3-triol
CID 135629267
4-Hydroxy-2-(2H-tetrazol-yl)benzenesulfonamide
CID 118256871
2-(1H-tetrazol-5-ylmethyl)phenol
CID 21756930
2-fluoro-5-(2H-tetrazol-5-yl)phenol
CID 20776972

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 3-(2H-tetrazol-5-yl)phenol (CID 13455763) is 3-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 3-(2H-tetrazol-5-yl)phenol is Oc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)phenol?
The InChIKey is IZORRBUQWFSCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-6-3-1-2-5(4-6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11).
What are the key properties of 3-(2H-tetrazol-5-yl)phenol?
3-(2H-tetrazol-5-yl)phenol has a molecular weight of 162.15 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 13455763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).