2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol

C13H16FN3O2 — CID 79449892

IUPAC2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
SMILESCn1ncnc1CC(CO)(CO)c1cccc(F)c1
InChIInChI=1S/C13H16FN3O2/c1-17-12(15-9-16-17)6-13(7-18,8-19)10-3-2-4-11(14)5-10/h2-5,9,18-19H,6-8H2,1H3
InChIKeyPRZMAVZBOAXZFL-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.42
Rot. Bonds5

About 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol

2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol (PubChem CID 79449892) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
PubChem CID79449892
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
SMILESCn1ncnc1CC(CO)(CO)c1cccc(F)c1
InChIInChI=1S/C13H16FN3O2/c1-17-12(15-9-16-17)6-13(7-18,8-19)10-3-2-4-11(14)5-10/h2-5,9,18-19H,6-8H2,1H3
InChIKeyPRZMAVZBOAXZFL-UHFFFAOYSA-N
XLogP0.42
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol (CID 79449892) is 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol is Cn1ncnc1CC(CO)(CO)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol?
The InChIKey is PRZMAVZBOAXZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-17-12(15-9-16-17)6-13(7-18,8-19)10-3-2-4-11(14)5-10/h2-5,9,18-19H,6-8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol?
2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol has a molecular weight of 265.29 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 79449892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).