5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C8H13N5O2 — CID 114420142

IUPAC5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC(N)c1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C8H13N5O2/c1-5(9)7-4-13(12-11-7)3-6-2-10-8(14)15-6/h4-6H,2-3,9H2,1H3,(H,10,14)
InChIKeyWGCHKPCIJWTRTK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.59
Rot. Bonds3

About 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 114420142) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID114420142
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC(N)c1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C8H13N5O2/c1-5(9)7-4-13(12-11-7)3-6-2-10-8(14)15-6/h4-6H,2-3,9H2,1H3,(H,10,14)
InChIKeyWGCHKPCIJWTRTK-UHFFFAOYSA-N
XLogP-0.59
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 114420142) is 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is CC(N)c1cn(CC2CNC(=O)O2)nn1.
What is the InChIKey of 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is WGCHKPCIJWTRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5(9)7-4-13(12-11-7)3-6-2-10-8(14)15-6/h4-6H,2-3,9H2,1H3,(H,10,14).
What are the key properties of 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 211.22 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 114420142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).