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

C8H7N3O — CID 135636849

IUPAC4-(1H-1,2,4-triazol-5-yl)phenol
SMILESOc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C8H7N3O/c12-7-3-1-6(2-4-7)8-9-5-10-11-8/h1-5,12H,(H,9,10,11)
InChIKeyZVILJBKZPFBMHZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.18
Rot. Bonds1

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

4-(1H-1,2,4-triazol-5-yl)phenol (PubChem CID 135636849) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)phenol.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)phenol
PubChem CID135636849
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-(1H-1,2,4-triazol-5-yl)phenol
SMILESOc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C8H7N3O/c12-7-3-1-6(2-4-7)8-9-5-10-11-8/h1-5,12H,(H,9,10,11)
InChIKeyZVILJBKZPFBMHZ-UHFFFAOYSA-N
XLogP1.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)phenol?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)phenol (CID 135636849) is 4-(1H-1,2,4-triazol-5-yl)phenol.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)phenol?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)phenol is Oc1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)phenol?
The InChIKey is ZVILJBKZPFBMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-7-3-1-6(2-4-7)8-9-5-10-11-8/h1-5,12H,(H,9,10,11).
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)phenol?
4-(1H-1,2,4-triazol-5-yl)phenol has a molecular weight of 161.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)phenol is sourced from PubChem (CID 135636849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).