3-(azidomethyl)-4-methyl-1,2,5-oxadiazole

C4H5N5O — CID 58766277

IUPAC3-(azidomethyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN=[N+]=[N-]
InChIInChI=1S/C4H5N5O/c1-3-4(2-6-9-5)8-10-7-3/h2H2,1H3
InChIKeyRQCHFGPUCXNOKX-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.19
Rot. Bonds2

About 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole

3-(azidomethyl)-4-methyl-1,2,5-oxadiazole (PubChem CID 58766277) has the molecular formula C4H5N5O and a molecular weight of 139.12 g/mol. Its IUPAC name is 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(azidomethyl)-4-methyl-1,2,5-oxadiazole
PubChem CID58766277
Molecular FormulaC4H5N5O
Molecular Weight139.12 g/mol
Exact Mass139.05
IUPAC Name3-(azidomethyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN=[N+]=[N-]
InChIInChI=1S/C4H5N5O/c1-3-4(2-6-9-5)8-10-7-3/h2H2,1H3
InChIKeyRQCHFGPUCXNOKX-UHFFFAOYSA-N
XLogP1.19
TPSA87.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole (CID 58766277) is 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole is Cc1nonc1CN=[N+]=[N-].
What is the InChIKey of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
The InChIKey is RQCHFGPUCXNOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O/c1-3-4(2-6-9-5)8-10-7-3/h2H2,1H3.
What are the key properties of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
3-(azidomethyl)-4-methyl-1,2,5-oxadiazole has a molecular weight of 139.12 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 58766277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).