potassium 5-amino-1,2,4-oxadiazole-3-carboxylate

C3H2KN3O3 — CID 178200930

IUPACpotassium 5-amino-1,2,4-oxadiazole-3-carboxylate
SMILESNc1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C3H3N3O3.K/c4-3-5-1(2(7)8)6-9-3;/h(H,7,8)(H2,4,5,6);/q;+1/p-1
InChIKeyQBYUJPRZUCNGDS-UHFFFAOYSA-M
MW167.16 g/mol
LogP-4.98
Rot. Bonds1

About potassium 5-amino-1,2,4-oxadiazole-3-carboxylate

potassium 5-amino-1,2,4-oxadiazole-3-carboxylate (PubChem CID 178200930) has the molecular formula C3H2KN3O3 and a molecular weight of 167.16 g/mol. Its IUPAC name is potassium 5-amino-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Namepotassium 5-amino-1,2,4-oxadiazole-3-carboxylate
PubChem CID178200930
Molecular FormulaC3H2KN3O3
Molecular Weight167.16 g/mol
Exact Mass166.97
IUPAC Namepotassium 5-amino-1,2,4-oxadiazole-3-carboxylate
SMILESNc1nc(C(=O)[O-])no1.[K+]
InChIInChI=1S/C3H3N3O3.K/c4-3-5-1(2(7)8)6-9-3;/h(H,7,8)(H2,4,5,6);/q;+1/p-1
InChIKeyQBYUJPRZUCNGDS-UHFFFAOYSA-M
XLogP-4.98
TPSA105.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-4.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 75481336
(2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid
CID 135609660
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790618
dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate
CID 139086700
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 90843715
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790267
5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790396
5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631887
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790212

Frequently Asked Questions

What is the IUPAC name of potassium 5-amino-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of potassium 5-amino-1,2,4-oxadiazole-3-carboxylate (CID 178200930) is potassium 5-amino-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for potassium 5-amino-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for potassium 5-amino-1,2,4-oxadiazole-3-carboxylate is Nc1nc(C(=O)[O-])no1.[K+].
What is the InChIKey of potassium 5-amino-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is QBYUJPRZUCNGDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3N3O3.K/c4-3-5-1(2(7)8)6-9-3;/h(H,7,8)(H2,4,5,6);/q;+1/p-1.
What are the key properties of potassium 5-amino-1,2,4-oxadiazole-3-carboxylate?
potassium 5-amino-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of -4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-amino-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 178200930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).