phenyl(2H-triazol-4-yl)methanol

C9H9N3O — CID 51346183

IUPACphenyl(2H-triazol-4-yl)methanol
SMILESOC(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C9H9N3O/c13-9(8-6-10-12-11-8)7-4-2-1-3-5-7/h1-6,9,13H,(H,10,11,12)
InChIKeyZSDFJVIDNNKXSM-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.89
Rot. Bonds2

About phenyl(2H-triazol-4-yl)methanol

phenyl(2H-triazol-4-yl)methanol (PubChem CID 51346183) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is phenyl(2H-triazol-4-yl)methanol.

Molecular Properties

Compound Namephenyl(2H-triazol-4-yl)methanol
PubChem CID51346183
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Namephenyl(2H-triazol-4-yl)methanol
SMILESOC(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C9H9N3O/c13-9(8-6-10-12-11-8)7-4-2-1-3-5-7/h1-6,9,13H,(H,10,11,12)
InChIKeyZSDFJVIDNNKXSM-UHFFFAOYSA-N
XLogP0.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 51346173
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Frequently Asked Questions

What is the IUPAC name of phenyl(2H-triazol-4-yl)methanol?
The IUPAC name of phenyl(2H-triazol-4-yl)methanol (CID 51346183) is phenyl(2H-triazol-4-yl)methanol.
What is the SMILES notation for phenyl(2H-triazol-4-yl)methanol?
The canonical SMILES for phenyl(2H-triazol-4-yl)methanol is OC(c1ccccc1)c1cn[nH]n1.
What is the InChIKey of phenyl(2H-triazol-4-yl)methanol?
The InChIKey is ZSDFJVIDNNKXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-9(8-6-10-12-11-8)7-4-2-1-3-5-7/h1-6,9,13H,(H,10,11,12).
What are the key properties of phenyl(2H-triazol-4-yl)methanol?
phenyl(2H-triazol-4-yl)methanol has a molecular weight of 175.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2H-triazol-4-yl)methanol is sourced from PubChem (CID 51346183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).