(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol

C13H15FN4O — CID 64577244

IUPAC(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C13H15FN4O/c1-9(19)11-6-10(14)2-3-12(11)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyMIULFRWVSJRDKL-VIFPVBQESA-N
MW262.29 g/mol
LogP1.49
Rot. Bonds2

About (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol

(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol (PubChem CID 64577244) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol
PubChem CID64577244
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CCn2cnnc2C1
InChIInChI=1S/C13H15FN4O/c1-9(19)11-6-10(14)2-3-12(11)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyMIULFRWVSJRDKL-VIFPVBQESA-N
XLogP1.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol (CID 64577244) is (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1N1CCn2cnnc2C1.
What is the InChIKey of (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol?
The InChIKey is MIULFRWVSJRDKL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9(19)11-6-10(14)2-3-12(11)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol?
(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol has a molecular weight of 262.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 64577244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).