3-azido-2-(azidomethyl)oxane

C6H10N6O — CID 141004625

IUPAC3-azido-2-(azidomethyl)oxane
SMILES[N-]=[N+]=NCC1OCCCC1N=[N+]=[N-]
InChIInChI=1S/C6H10N6O/c7-11-9-4-6-5(10-12-8)2-1-3-13-6/h5-6H,1-4H2
InChIKeyLAXFNHYTCRLKMR-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.15
Rot. Bonds3

About 3-azido-2-(azidomethyl)oxane

3-azido-2-(azidomethyl)oxane (PubChem CID 141004625) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 3-azido-2-(azidomethyl)oxane.

Molecular Properties

Compound Name3-azido-2-(azidomethyl)oxane
PubChem CID141004625
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name3-azido-2-(azidomethyl)oxane
SMILES[N-]=[N+]=NCC1OCCCC1N=[N+]=[N-]
InChIInChI=1S/C6H10N6O/c7-11-9-4-6-5(10-12-8)2-1-3-13-6/h5-6H,1-4H2
InChIKeyLAXFNHYTCRLKMR-UHFFFAOYSA-N
XLogP2.15
TPSA106.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(azidomethyl)-1,3-dioxolane
CID 19934523
(4S,5R)-5-azido-4-(azidomethyl)-2-phenyl-1,3-dioxane
CID 102154551
9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343151
2-(azidomethyl)-3-ethyloxirane;oxolane
CID 174876152
2-azido-3-(trifluoromethyl)oxane
CID 102361501
(3R,4R)-4-azido-2,3-dimethyloxane
CID 159925042
(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 133139298
(3S,3aR,6R,6aR)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90042500
(3-azido-4-fluorooxan-2-yl)methanol
CID 130004697
2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98128026
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-(azidomethyl)oxane?
The IUPAC name of 3-azido-2-(azidomethyl)oxane (CID 141004625) is 3-azido-2-(azidomethyl)oxane.
What is the SMILES notation for 3-azido-2-(azidomethyl)oxane?
The canonical SMILES for 3-azido-2-(azidomethyl)oxane is [N-]=[N+]=NCC1OCCCC1N=[N+]=[N-].
What is the InChIKey of 3-azido-2-(azidomethyl)oxane?
The InChIKey is LAXFNHYTCRLKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c7-11-9-4-6-5(10-12-8)2-1-3-13-6/h5-6H,1-4H2.
What are the key properties of 3-azido-2-(azidomethyl)oxane?
3-azido-2-(azidomethyl)oxane has a molecular weight of 182.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-(azidomethyl)oxane is sourced from PubChem (CID 141004625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).