(5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

C11H11N3O2 — CID 170345812

IUPAC(5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
SMILESO=c1[nH]nc2n1[C@H](c1ccccc1)COC2
InChIInChI=1S/C11H11N3O2/c15-11-13-12-10-7-16-6-9(14(10)11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)/t9-/m0/s1
InChIKeyHNVXHAKSAFGOEH-VIFPVBQESA-N
MW217.23 g/mol
LogP0.69
Rot. Bonds1

About (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

(5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one (PubChem CID 170345812) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one.

Molecular Properties

Compound Name(5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
PubChem CID170345812
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
SMILESO=c1[nH]nc2n1[C@H](c1ccccc1)COC2
InChIInChI=1S/C11H11N3O2/c15-11-13-12-10-7-16-6-9(14(10)11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)/t9-/m0/s1
InChIKeyHNVXHAKSAFGOEH-VIFPVBQESA-N
XLogP0.69
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
The IUPAC name of (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one (CID 170345812) is (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one.
What is the SMILES notation for (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
The canonical SMILES for (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one is O=c1[nH]nc2n1[C@H](c1ccccc1)COC2.
What is the InChIKey of (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
The InChIKey is HNVXHAKSAFGOEH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11-13-12-10-7-16-6-9(14(10)11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one?
(5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one has a molecular weight of 217.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one is sourced from PubChem (CID 170345812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).