2-methylphenol;2H-triazole

C9H11N3O — CID 161448699

IUPAC2-methylphenol;2H-triazole
SMILESCc1ccccc1O.c1cn[nH]n1
InChIInChI=1S/C7H8O.C2H3N3/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5,8H,1H3;1-2H,(H,3,4,5)
InChIKeyWAFUAZOSPJSEDF-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.51
Rot. Bonds

About 2-methylphenol;2H-triazole

2-methylphenol;2H-triazole (PubChem CID 161448699) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-methylphenol;2H-triazole.

Molecular Properties

Compound Name2-methylphenol;2H-triazole
PubChem CID161448699
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-methylphenol;2H-triazole
SMILESCc1ccccc1O.c1cn[nH]n1
InChIInChI=1S/C7H8O.C2H3N3/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5,8H,1H3;1-2H,(H,3,4,5)
InChIKeyWAFUAZOSPJSEDF-UHFFFAOYSA-N
XLogP1.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylphenol;2H-triazole?
The IUPAC name of 2-methylphenol;2H-triazole (CID 161448699) is 2-methylphenol;2H-triazole.
What is the SMILES notation for 2-methylphenol;2H-triazole?
The canonical SMILES for 2-methylphenol;2H-triazole is Cc1ccccc1O.c1cn[nH]n1.
What is the InChIKey of 2-methylphenol;2H-triazole?
The InChIKey is WAFUAZOSPJSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H3N3/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5,8H,1H3;1-2H,(H,3,4,5).
What are the key properties of 2-methylphenol;2H-triazole?
2-methylphenol;2H-triazole has a molecular weight of 177.21 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylphenol;2H-triazole is sourced from PubChem (CID 161448699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).