1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

C10H10N6O4 — CID 62059105

IUPAC1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)nn1)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H10N6O4/c17-7(4-16-3-6(9(18)19)12-15-16)11-10-14-13-8(20-10)5-1-2-5/h3,5H,1-2,4H2,(H,18,19)(H,11,14,17)
InChIKeyPQKZYNZCSRWTJD-UHFFFAOYSA-N
MW278.23 g/mol
LogP-0.12
Rot. Bonds5

About 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid

1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 62059105) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID62059105
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)nn1)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H10N6O4/c17-7(4-16-3-6(9(18)19)12-15-16)11-10-14-13-8(20-10)5-1-2-5/h3,5H,1-2,4H2,(H,18,19)(H,11,14,17)
InChIKeyPQKZYNZCSRWTJD-UHFFFAOYSA-N
XLogP-0.12
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid (CID 62059105) is 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is O=C(Cn1cc(C(=O)O)nn1)Nc1nnc(C2CC2)o1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is PQKZYNZCSRWTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c17-7(4-16-3-6(9(18)19)12-15-16)11-10-14-13-8(20-10)5-1-2-5/h3,5H,1-2,4H2,(H,18,19)(H,11,14,17).
What are the key properties of 1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid?
1-[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 278.23 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-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62059105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).