2-(1,3-diazido-2-methylpropan-2-yl)oxirane

C6H10N6O — CID 141350336

IUPAC2-(1,3-diazido-2-methylpropan-2-yl)oxirane
SMILESCC(CN=[N+]=[N-])(CN=[N+]=[N-])C1CO1
InChIInChI=1S/C6H10N6O/c1-6(3-9-11-7,4-10-12-8)5-2-13-5/h5H,2-4H2,1H3
InChIKeyYXEHLEYWZAPYBS-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.01
Rot. Bonds5

About 2-(1,3-diazido-2-methylpropan-2-yl)oxirane

2-(1,3-diazido-2-methylpropan-2-yl)oxirane (PubChem CID 141350336) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(1,3-diazido-2-methylpropan-2-yl)oxirane.

Molecular Properties

Compound Name2-(1,3-diazido-2-methylpropan-2-yl)oxirane
PubChem CID141350336
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name2-(1,3-diazido-2-methylpropan-2-yl)oxirane
SMILESCC(CN=[N+]=[N-])(CN=[N+]=[N-])C1CO1
InChIInChI=1S/C6H10N6O/c1-6(3-9-11-7,4-10-12-8)5-2-13-5/h5H,2-4H2,1H3
InChIKeyYXEHLEYWZAPYBS-UHFFFAOYSA-N
XLogP2.01
TPSA110.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.01
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 14128692
(2S)-1-azido-2-cyclohexylpropan-2-ol
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1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane
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1-azido-2-cyclohexylpropan-2-ol
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2-(azidomethyl)-1,3-dioxolane
CID 19934523
3-azido-2,2-difluoropropan-1-amine
CID 150560121
(2S,4R)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456426
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095
3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 173483389
(2S,4S)-2-(azidomethyl)-4-cyclopropyloxolane
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CID 125457049

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diazido-2-methylpropan-2-yl)oxirane?
The IUPAC name of 2-(1,3-diazido-2-methylpropan-2-yl)oxirane (CID 141350336) is 2-(1,3-diazido-2-methylpropan-2-yl)oxirane.
What is the SMILES notation for 2-(1,3-diazido-2-methylpropan-2-yl)oxirane?
The canonical SMILES for 2-(1,3-diazido-2-methylpropan-2-yl)oxirane is CC(CN=[N+]=[N-])(CN=[N+]=[N-])C1CO1.
What is the InChIKey of 2-(1,3-diazido-2-methylpropan-2-yl)oxirane?
The InChIKey is YXEHLEYWZAPYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c1-6(3-9-11-7,4-10-12-8)5-2-13-5/h5H,2-4H2,1H3.
What are the key properties of 2-(1,3-diazido-2-methylpropan-2-yl)oxirane?
2-(1,3-diazido-2-methylpropan-2-yl)oxirane has a molecular weight of 182.19 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diazido-2-methylpropan-2-yl)oxirane is sourced from PubChem (CID 141350336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).