3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide

C6H8N6O3 — CID 79524265

IUPAC3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N[C@@H]2CONC2=O)n1
InChIInChI=1S/C6H8N6O3/c7-6-9-3(10-11-6)5(14)8-2-1-15-12-4(2)13/h2H,1H2,(H,8,14)(H,12,13)(H3,7,9,10,11)/t2-/m1/s1
InChIKeyKZPITBHDXNUVTE-UWTATZPHSA-N
MW212.17 g/mol
LogP-2.45
Rot. Bonds2

About 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 79524265) has the molecular formula C6H8N6O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID79524265
Molecular FormulaC6H8N6O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N[C@@H]2CONC2=O)n1
InChIInChI=1S/C6H8N6O3/c7-6-9-3(10-11-6)5(14)8-2-1-15-12-4(2)13/h2H,1H2,(H,8,14)(H,12,13)(H3,7,9,10,11)/t2-/m1/s1
InChIKeyKZPITBHDXNUVTE-UWTATZPHSA-N
XLogP-2.45
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide (CID 79524265) is 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)N[C@@H]2CONC2=O)n1.
What is the InChIKey of 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KZPITBHDXNUVTE-UWTATZPHSA-N. The full InChI is InChI=1S/C6H8N6O3/c7-6-9-3(10-11-6)5(14)8-2-1-15-12-4(2)13/h2H,1H2,(H,8,14)(H,12,13)(H3,7,9,10,11)/t2-/m1/s1.
What are the key properties of 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 212.17 g/mol, XLogP of -2.45, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 79524265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).