[3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone

C15H15FN4O2 — CID 118868001

IUPAC[3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone
SMILESO=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(O)C2
InChIInChI=1S/C15H15FN4O2/c16-11-3-1-2-10(14(11)20-17-6-7-18-20)15(22)19-9-4-5-12(19)13(21)8-9/h1-3,6-7,9,12-13,21H,4-5,8H2
InChIKeyHKZTUQBLTJWWSC-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.14
Rot. Bonds2

About [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone

[3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone (PubChem CID 118868001) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone
PubChem CID118868001
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name[3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone
SMILESO=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(O)C2
InChIInChI=1S/C15H15FN4O2/c16-11-3-1-2-10(14(11)20-17-6-7-18-20)15(22)19-9-4-5-12(19)13(21)8-9/h1-3,6-7,9,12-13,21H,4-5,8H2
InChIKeyHKZTUQBLTJWWSC-UHFFFAOYSA-N
XLogP1.14
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone?
The IUPAC name of [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone (CID 118868001) is [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone.
What is the SMILES notation for [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone?
The canonical SMILES for [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone is O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(O)C2.
What is the InChIKey of [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone?
The InChIKey is HKZTUQBLTJWWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-11-3-1-2-10(14(11)20-17-6-7-18-20)15(22)19-9-4-5-12(19)13(21)8-9/h1-3,6-7,9,12-13,21H,4-5,8H2.
What are the key properties of [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone?
[3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone has a molecular weight of 302.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(triazol-2-yl)phenyl]-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)methanone is sourced from PubChem (CID 118868001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).