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

C15H13N3O — CID 51346173

IUPACdiphenyl(2H-triazol-4-yl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C15H13N3O/c19-15(14-11-16-18-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,19H,(H,16,17,18)
InChIKeyDOAAXYCBZJDQRJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.09
Rot. Bonds3

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

diphenyl(2H-triazol-4-yl)methanol (PubChem CID 51346173) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is diphenyl(2H-triazol-4-yl)methanol.

Molecular Properties

Compound Namediphenyl(2H-triazol-4-yl)methanol
PubChem CID51346173
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Namediphenyl(2H-triazol-4-yl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C15H13N3O/c19-15(14-11-16-18-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,19H,(H,16,17,18)
InChIKeyDOAAXYCBZJDQRJ-UHFFFAOYSA-N
XLogP2.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diphenyl(2H-triazol-4-yl)methanol?
The IUPAC name of diphenyl(2H-triazol-4-yl)methanol (CID 51346173) is diphenyl(2H-triazol-4-yl)methanol.
What is the SMILES notation for diphenyl(2H-triazol-4-yl)methanol?
The canonical SMILES for diphenyl(2H-triazol-4-yl)methanol is OC(c1ccccc1)(c1ccccc1)c1cn[nH]n1.
What is the InChIKey of diphenyl(2H-triazol-4-yl)methanol?
The InChIKey is DOAAXYCBZJDQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15(14-11-16-18-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,19H,(H,16,17,18).
What are the key properties of diphenyl(2H-triazol-4-yl)methanol?
diphenyl(2H-triazol-4-yl)methanol has a molecular weight of 251.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(2H-triazol-4-yl)methanol is sourced from PubChem (CID 51346173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).