4-(aminomethyl)-1,2,5-oxadiazol-3-one

C3H5N3O2 — CID 132933742

IUPAC4-(aminomethyl)-1,2,5-oxadiazol-3-one
SMILESNCc1no[nH]c1=O
InChIInChI=1S/C3H5N3O2/c4-1-2-3(7)6-8-5-2/h1,4H2,(H,6,7)
InChIKeyOBPOANOFSFWUCJ-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.18
Rot. Bonds1

About 4-(aminomethyl)-1,2,5-oxadiazol-3-one

4-(aminomethyl)-1,2,5-oxadiazol-3-one (PubChem CID 132933742) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 4-(aminomethyl)-1,2,5-oxadiazol-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-1,2,5-oxadiazol-3-one
PubChem CID132933742
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name4-(aminomethyl)-1,2,5-oxadiazol-3-one
SMILESNCc1no[nH]c1=O
InChIInChI=1S/C3H5N3O2/c4-1-2-3(7)6-8-5-2/h1,4H2,(H,6,7)
InChIKeyOBPOANOFSFWUCJ-UHFFFAOYSA-N
XLogP-1.18
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,2,5-oxadiazol-3-one?
The IUPAC name of 4-(aminomethyl)-1,2,5-oxadiazol-3-one (CID 132933742) is 4-(aminomethyl)-1,2,5-oxadiazol-3-one.
What is the SMILES notation for 4-(aminomethyl)-1,2,5-oxadiazol-3-one?
The canonical SMILES for 4-(aminomethyl)-1,2,5-oxadiazol-3-one is NCc1no[nH]c1=O.
What is the InChIKey of 4-(aminomethyl)-1,2,5-oxadiazol-3-one?
The InChIKey is OBPOANOFSFWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-1-2-3(7)6-8-5-2/h1,4H2,(H,6,7).
What are the key properties of 4-(aminomethyl)-1,2,5-oxadiazol-3-one?
4-(aminomethyl)-1,2,5-oxadiazol-3-one has a molecular weight of 115.09 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,2,5-oxadiazol-3-one is sourced from PubChem (CID 132933742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).