4-(1-methyltetrazol-5-yl)phenol

C8H8N4O — CID 135484220

IUPAC4-(1-methyltetrazol-5-yl)phenol
SMILESCn1nnnc1-c1ccc(O)cc1
InChIInChI=1S/C8H8N4O/c1-12-8(9-10-11-12)6-2-4-7(13)5-3-6/h2-5,13H,1H3
InChIKeyRKAMXWSMTGSYLN-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.58
Rot. Bonds1

About 4-(1-methyltetrazol-5-yl)phenol

4-(1-methyltetrazol-5-yl)phenol (PubChem CID 135484220) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)phenol.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)phenol
PubChem CID135484220
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-(1-methyltetrazol-5-yl)phenol
SMILESCn1nnnc1-c1ccc(O)cc1
InChIInChI=1S/C8H8N4O/c1-12-8(9-10-11-12)6-2-4-7(13)5-3-6/h2-5,13H,1H3
InChIKeyRKAMXWSMTGSYLN-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)phenol?
The IUPAC name of 4-(1-methyltetrazol-5-yl)phenol (CID 135484220) is 4-(1-methyltetrazol-5-yl)phenol.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)phenol?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)phenol is Cn1nnnc1-c1ccc(O)cc1.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)phenol?
The InChIKey is RKAMXWSMTGSYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-8(9-10-11-12)6-2-4-7(13)5-3-6/h2-5,13H,1H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)phenol?
4-(1-methyltetrazol-5-yl)phenol has a molecular weight of 176.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)phenol is sourced from PubChem (CID 135484220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).