1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol

C17H17N3O2 — CID 70380603

IUPAC1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol
SMILESOC(c1ccccc1)C(O)(Cc1cn[nH]n1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(13-7-3-1-4-8-13)17(22,11-15-12-18-20-19-15)14-9-5-2-6-10-14/h1-10,12,16,21-22H,11H2,(H,18,19,20)
InChIKeyBYRBMINDAXHHIB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.97
Rot. Bonds5

About 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol

1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol (PubChem CID 70380603) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol
PubChem CID70380603
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol
SMILESOC(c1ccccc1)C(O)(Cc1cn[nH]n1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(13-7-3-1-4-8-13)17(22,11-15-12-18-20-19-15)14-9-5-2-6-10-14/h1-10,12,16,21-22H,11H2,(H,18,19,20)
InChIKeyBYRBMINDAXHHIB-UHFFFAOYSA-N
XLogP1.97
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenylmethoxymethyl)-2H-triazole
CID 12990357
1,2,3-triphenylnonadecane-1,2,3-triol
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1-amino-2-phenylethane-1,1,2-triol
CID 69451369
1-(2-phenoxyphenyl)-2-(2H-triazol-4-yl)ethanol
CID 118914042
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
[3-oxo-6-(2H-triazol-4-yl)hexyl]-triphenylphosphanium bromide
CID 167694373
4-O-[3-(2-hydroxy-2-phenylethoxy)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 1-O-(2H-triazol-4-ylmethyl) butanedioate
CID 139212547
1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride
CID 86775451
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1S)-2-(dimethylamino)-1,2,2-triphenylethanol
CID 10686982

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol?
The IUPAC name of 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol (CID 70380603) is 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol.
What is the SMILES notation for 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol?
The canonical SMILES for 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol is OC(c1ccccc1)C(O)(Cc1cn[nH]n1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol?
The InChIKey is BYRBMINDAXHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(13-7-3-1-4-8-13)17(22,11-15-12-18-20-19-15)14-9-5-2-6-10-14/h1-10,12,16,21-22H,11H2,(H,18,19,20).
What are the key properties of 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol?
1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol has a molecular weight of 295.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-(2H-triazol-4-yl)propane-1,2-diol is sourced from PubChem (CID 70380603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).