2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol

C11H10FN3O — CID 176720032

IUPAC2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nncn1C1CC1
InChIInChI=1S/C11H10FN3O/c12-7-1-4-10(16)9(5-7)11-14-13-6-15(11)8-2-3-8/h1,4-6,8,16H,2-3H2
InChIKeySNHKWYHIPKIWQA-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.12
Rot. Bonds2

About 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol

2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol (PubChem CID 176720032) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol
PubChem CID176720032
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nncn1C1CC1
InChIInChI=1S/C11H10FN3O/c12-7-1-4-10(16)9(5-7)11-14-13-6-15(11)8-2-3-8/h1,4-6,8,16H,2-3H2
InChIKeySNHKWYHIPKIWQA-UHFFFAOYSA-N
XLogP2.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol?
The IUPAC name of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol (CID 176720032) is 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol.
What is the SMILES notation for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol?
The canonical SMILES for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol is Oc1ccc(F)cc1-c1nncn1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol?
The InChIKey is SNHKWYHIPKIWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-7-1-4-10(16)9(5-7)11-14-13-6-15(11)8-2-3-8/h1,4-6,8,16H,2-3H2.
What are the key properties of 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol?
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol has a molecular weight of 219.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenol is sourced from PubChem (CID 176720032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).