(6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid

C10H9N3O3S — CID 129496707

IUPAC(6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid
SMILESO=C(O)c1nnn2c1CO[C@H](c1ccsc1)C2
InChIInChI=1S/C10H9N3O3S/c14-10(15)9-7-4-16-8(3-13(7)12-11-9)6-1-2-17-5-6/h1-2,5,8H,3-4H2,(H,14,15)/t8-/m0/s1
InChIKeyJMLGLCYPJHUENM-QMMMGPOBSA-N
MW251.27 g/mol
LogP1.31
Rot. Bonds2

About (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid

(6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid (PubChem CID 129496707) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid
PubChem CID129496707
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name(6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid
SMILESO=C(O)c1nnn2c1CO[C@H](c1ccsc1)C2
InChIInChI=1S/C10H9N3O3S/c14-10(15)9-7-4-16-8(3-13(7)12-11-9)6-1-2-17-5-6/h1-2,5,8H,3-4H2,(H,14,15)/t8-/m0/s1
InChIKeyJMLGLCYPJHUENM-QMMMGPOBSA-N
XLogP1.31
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid?
The IUPAC name of (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid (CID 129496707) is (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid.
What is the SMILES notation for (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid?
The canonical SMILES for (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid is O=C(O)c1nnn2c1CO[C@H](c1ccsc1)C2.
What is the InChIKey of (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid?
The InChIKey is JMLGLCYPJHUENM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-10(15)9-7-4-16-8(3-13(7)12-11-9)6-1-2-17-5-6/h1-2,5,8H,3-4H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid?
(6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid is sourced from PubChem (CID 129496707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).