2-(1,2,4-triazol-1-yl)phenol

C8H7N3O — CID 23055339

IUPAC2-(1,2,4-triazol-1-yl)phenol
SMILESOc1ccccc1-n1cncn1
InChIInChI=1S/C8H7N3O/c12-8-4-2-1-3-7(8)11-6-9-5-10-11/h1-6,12H
InChIKeyLBVKVHPNSXYVJM-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.97
Rot. Bonds1

About 2-(1,2,4-triazol-1-yl)phenol

2-(1,2,4-triazol-1-yl)phenol (PubChem CID 23055339) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)phenol
PubChem CID23055339
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-(1,2,4-triazol-1-yl)phenol
SMILESOc1ccccc1-n1cncn1
InChIInChI=1S/C8H7N3O/c12-8-4-2-1-3-7(8)11-6-9-5-10-11/h1-6,12H
InChIKeyLBVKVHPNSXYVJM-UHFFFAOYSA-N
XLogP0.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-Triazol-1-yl)phenol
CID 110064
4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
3-(4H-1,2,4-triazol-4-yl)phenol
CID 17174911
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 15496731
3-(1H-tetrazol-1-yl)phenol
CID 856192
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323
2-(4H-1,2,4-Triazol-4-yl)phenol
CID 26343030
2-amino-4-(4H-1,2,4-triazol-4-yl)phenol
CID 37859314
4-(3-amino-1H-1,2,4-triazol-1-yl)phenol
CID 75453064
4-fluoro-2-(4H-1,2,4-triazol-4-yl)phenol
CID 84656751

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)phenol?
The IUPAC name of 2-(1,2,4-triazol-1-yl)phenol (CID 23055339) is 2-(1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)phenol is Oc1ccccc1-n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)phenol?
The InChIKey is LBVKVHPNSXYVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-4-2-1-3-7(8)11-6-9-5-10-11/h1-6,12H.
What are the key properties of 2-(1,2,4-triazol-1-yl)phenol?
2-(1,2,4-triazol-1-yl)phenol has a molecular weight of 161.16 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 23055339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).