1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid

C10H12N6O4 — CID 62061051

IUPAC1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCC(C)c1nnc(NC(=O)Cn2cc(C(=O)O)nn2)o1
InChIInChI=1S/C10H12N6O4/c1-5(2)8-13-14-10(20-8)11-7(17)4-16-3-6(9(18)19)12-15-16/h3,5H,4H2,1-2H3,(H,18,19)(H,11,14,17)
InChIKeyJGKFSBBKJQISGF-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.12
Rot. Bonds5

About 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 62061051) has the molecular formula C10H12N6O4 and a molecular weight of 280.24 g/mol. Its IUPAC name is 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID62061051
Molecular FormulaC10H12N6O4
Molecular Weight280.24 g/mol
Exact Mass280.09
IUPAC Name1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCC(C)c1nnc(NC(=O)Cn2cc(C(=O)O)nn2)o1
InChIInChI=1S/C10H12N6O4/c1-5(2)8-13-14-10(20-8)11-7(17)4-16-3-6(9(18)19)12-15-16/h3,5H,4H2,1-2H3,(H,18,19)(H,11,14,17)
InChIKeyJGKFSBBKJQISGF-UHFFFAOYSA-N
XLogP0.12
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid (CID 62061051) is 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid is CC(C)c1nnc(NC(=O)Cn2cc(C(=O)O)nn2)o1.
What is the InChIKey of 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is JGKFSBBKJQISGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O4/c1-5(2)8-13-14-10(20-8)11-7(17)4-16-3-6(9(18)19)12-15-16/h3,5H,4H2,1-2H3,(H,18,19)(H,11,14,17).
What are the key properties of 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 280.24 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62061051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).