2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid

C9H10N6O5S — CID 134354937

IUPAC2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)NCc1nc(-c2cnccn2)no1
InChIInChI=1S/C9H10N6O5S/c16-8(17)5-13-21(18,19)12-4-7-14-9(15-20-7)6-3-10-1-2-11-6/h1-3,12-13H,4-5H2,(H,16,17)
InChIKeyVTZPCTOYAUFPEO-UHFFFAOYSA-N
MW314.28 g/mol
LogP-1.46
Rot. Bonds7

About 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid

2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid (PubChem CID 134354937) has the molecular formula C9H10N6O5S and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid
PubChem CID134354937
Molecular FormulaC9H10N6O5S
Molecular Weight314.28 g/mol
Exact Mass314.04
IUPAC Name2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)NCc1nc(-c2cnccn2)no1
InChIInChI=1S/C9H10N6O5S/c16-8(17)5-13-21(18,19)12-4-7-14-9(15-20-7)6-3-10-1-2-11-6/h1-3,12-13H,4-5H2,(H,16,17)
InChIKeyVTZPCTOYAUFPEO-UHFFFAOYSA-N
XLogP-1.46
TPSA160.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid?
The IUPAC name of 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid (CID 134354937) is 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid?
The canonical SMILES for 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid is O=C(O)CNS(=O)(=O)NCc1nc(-c2cnccn2)no1.
What is the InChIKey of 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid?
The InChIKey is VTZPCTOYAUFPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O5S/c16-8(17)5-13-21(18,19)12-4-7-14-9(15-20-7)6-3-10-1-2-11-6/h1-3,12-13H,4-5H2,(H,16,17).
What are the key properties of 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid?
2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid has a molecular weight of 314.28 g/mol, XLogP of -1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfamoylamino]acetic acid is sourced from PubChem (CID 134354937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).