4-amino-2-methyl-1,2,5-oxadiazol-3-one

C3H5N3O2 — CID 55284686

IUPAC4-amino-2-methyl-1,2,5-oxadiazol-3-one
SMILESCn1onc(N)c1=O
InChIInChI=1S/C3H5N3O2/c1-6-3(7)2(4)5-8-6/h1H3,(H2,4,5)
InChIKeyPCAJROJQJOONJU-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.04
Rot. Bonds

About 4-amino-2-methyl-1,2,5-oxadiazol-3-one

4-amino-2-methyl-1,2,5-oxadiazol-3-one (PubChem CID 55284686) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 4-amino-2-methyl-1,2,5-oxadiazol-3-one.

Molecular Properties

Compound Name4-amino-2-methyl-1,2,5-oxadiazol-3-one
PubChem CID55284686
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name4-amino-2-methyl-1,2,5-oxadiazol-3-one
SMILESCn1onc(N)c1=O
InChIInChI=1S/C3H5N3O2/c1-6-3(7)2(4)5-8-6/h1H3,(H2,4,5)
InChIKeyPCAJROJQJOONJU-UHFFFAOYSA-N
XLogP-1.04
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1,2,5-oxadiazol-3-one?
The IUPAC name of 4-amino-2-methyl-1,2,5-oxadiazol-3-one (CID 55284686) is 4-amino-2-methyl-1,2,5-oxadiazol-3-one.
What is the SMILES notation for 4-amino-2-methyl-1,2,5-oxadiazol-3-one?
The canonical SMILES for 4-amino-2-methyl-1,2,5-oxadiazol-3-one is Cn1onc(N)c1=O.
What is the InChIKey of 4-amino-2-methyl-1,2,5-oxadiazol-3-one?
The InChIKey is PCAJROJQJOONJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c1-6-3(7)2(4)5-8-6/h1H3,(H2,4,5).
What are the key properties of 4-amino-2-methyl-1,2,5-oxadiazol-3-one?
4-amino-2-methyl-1,2,5-oxadiazol-3-one has a molecular weight of 115.09 g/mol, XLogP of -1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1,2,5-oxadiazol-3-one is sourced from PubChem (CID 55284686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).