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

C7H11N5O2 — CID 62055901

IUPAC5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESNCc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C7H11N5O2/c8-1-5-3-12(11-10-5)4-6-2-9-7(13)14-6/h3,6H,1-2,4,8H2,(H,9,13)
InChIKeyQJMVRMCZFQOSBL-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.15
Rot. Bonds3

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

5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 62055901) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID62055901
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESNCc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C7H11N5O2/c8-1-5-3-12(11-10-5)4-6-2-9-7(13)14-6/h3,6H,1-2,4,8H2,(H,9,13)
InChIKeyQJMVRMCZFQOSBL-UHFFFAOYSA-N
XLogP-1.15
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 62055901) is 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is NCc1cn(CC2CNC(=O)O2)nn1.
What is the InChIKey of 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is QJMVRMCZFQOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-1-5-3-12(11-10-5)4-6-2-9-7(13)14-6/h3,6H,1-2,4,8H2,(H,9,13).
What are the key properties of 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 197.20 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62055901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).