3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid

C8H10N4O4 — CID 64890738

IUPAC3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cn[nH]n1
InChIInChI=1S/C8H10N4O4/c13-6(5-3-9-12-11-5)10-8(7(14)15)1-2-16-4-8/h3H,1-2,4H2,(H,10,13)(H,14,15)(H,9,11,12)
InChIKeyIFOCFBYOIAKPQY-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.22
Rot. Bonds3

About 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid

3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 64890738) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
PubChem CID64890738
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cn[nH]n1
InChIInChI=1S/C8H10N4O4/c13-6(5-3-9-12-11-5)10-8(7(14)15)1-2-16-4-8/h3H,1-2,4H2,(H,10,13)(H,14,15)(H,9,11,12)
InChIKeyIFOCFBYOIAKPQY-UHFFFAOYSA-N
XLogP-1.22
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(bromomethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 130948425
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888237
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888056
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
3-(1H-indazole-3-carbonylamino)oxolane-3-carboxylic acid
CID 64888218
3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532728
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 64888025
3-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64893712

Frequently Asked Questions

What is the IUPAC name of 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid (CID 64890738) is 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cn[nH]n1.
What is the InChIKey of 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is IFOCFBYOIAKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c13-6(5-3-9-12-11-5)10-8(7(14)15)1-2-16-4-8/h3H,1-2,4H2,(H,10,13)(H,14,15)(H,9,11,12).
What are the key properties of 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid?
3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64890738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).