(3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine

C12H14FN3O — CID 95988113

IUPAC(3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine
SMILESCC(C)[C@@H]1N=NC(c2ccc(F)cc2)=CN1O
InChIInChI=1S/C12H14FN3O/c1-8(2)12-15-14-11(7-16(12)17)9-3-5-10(13)6-4-9/h3-8,12,17H,1-2H3/t12-/m1/s1
InChIKeyDAXFIIZFUGUNGN-GFCCVEGCSA-N
MW235.26 g/mol
LogP3.26
Rot. Bonds2

About (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine

(3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine (PubChem CID 95988113) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine.

Molecular Properties

Compound Name(3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine
PubChem CID95988113
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine
SMILESCC(C)[C@@H]1N=NC(c2ccc(F)cc2)=CN1O
InChIInChI=1S/C12H14FN3O/c1-8(2)12-15-14-11(7-16(12)17)9-3-5-10(13)6-4-9/h3-8,12,17H,1-2H3/t12-/m1/s1
InChIKeyDAXFIIZFUGUNGN-GFCCVEGCSA-N
XLogP3.26
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine?
The IUPAC name of (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine (CID 95988113) is (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine.
What is the SMILES notation for (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine?
The canonical SMILES for (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine is CC(C)[C@@H]1N=NC(c2ccc(F)cc2)=CN1O.
What is the InChIKey of (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine?
The InChIKey is DAXFIIZFUGUNGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(2)12-15-14-11(7-16(12)17)9-3-5-10(13)6-4-9/h3-8,12,17H,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine?
(3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine has a molecular weight of 235.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine is sourced from PubChem (CID 95988113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).