3-(5-methyltetrazol-1-yl)phenol

C8H8N4O — CID 16765171

IUPAC3-(5-methyltetrazol-1-yl)phenol
SMILESCc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C8H8N4O/c1-6-9-10-11-12(6)7-3-2-4-8(13)5-7/h2-5,13H,1H3
InChIKeyZNAULYCHNQCCGW-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.68
Rot. Bonds1

About 3-(5-methyltetrazol-1-yl)phenol

3-(5-methyltetrazol-1-yl)phenol (PubChem CID 16765171) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)phenol
PubChem CID16765171
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name3-(5-methyltetrazol-1-yl)phenol
SMILESCc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C8H8N4O/c1-6-9-10-11-12(6)7-3-2-4-8(13)5-7/h2-5,13H,1H3
InChIKeyZNAULYCHNQCCGW-UHFFFAOYSA-N
XLogP0.68
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

m-(5-(Methylthio)-1H-tetrazol-1-yl)phenol
CID 713737
3-(1H-tetrazol-1-yl)phenol
CID 856192
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
3-Methoxy-5-(5-methyl-1h-tetrazol-1-yl)aniline
CID 3155252
4-(5-Trifluoromethyl-tetrazol-1-YL)-phenol
CID 21197249
2-Fluoro-4-(5-methyl-tetrazol-1-yl)-phenol
CID 22106524
1-(3-Butoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117938
1-(3-Methoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117939
1-(3-Ethoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117951
1-(3-Propoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117955
1-(3-Methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 23117995
3-Fluoro-4-(5-methyltetrazol-1-yl)phenol
CID 67389681

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)phenol?
The IUPAC name of 3-(5-methyltetrazol-1-yl)phenol (CID 16765171) is 3-(5-methyltetrazol-1-yl)phenol.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)phenol?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)phenol is Cc1nnnn1-c1cccc(O)c1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)phenol?
The InChIKey is ZNAULYCHNQCCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6-9-10-11-12(6)7-3-2-4-8(13)5-7/h2-5,13H,1H3.
What are the key properties of 3-(5-methyltetrazol-1-yl)phenol?
3-(5-methyltetrazol-1-yl)phenol has a molecular weight of 176.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)phenol is sourced from PubChem (CID 16765171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).