2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol

C9H9N3O — CID 854940

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol
SMILESCc1nc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C9H9N3O/c1-6-10-9(12-11-6)7-4-2-3-5-8(7)13/h2-5,13H,1H3,(H,10,11,12)
InChIKeySHNXAWZGPBNDKO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.49
Rot. Bonds1

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol

2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 854940) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID854940
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol
SMILESCc1nc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C9H9N3O/c1-6-10-9(12-11-6)7-4-2-3-5-8(7)13/h2-5,13H,1H3,(H,10,11,12)
InChIKeySHNXAWZGPBNDKO-UHFFFAOYSA-N
XLogP1.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol (CID 854940) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol is Cc1nc(-c2ccccc2O)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is SHNXAWZGPBNDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-10-9(12-11-6)7-4-2-3-5-8(7)13/h2-5,13H,1H3,(H,10,11,12).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol?
2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 854940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).