2-(2,2,2-triazidoethyl)oxirane

C4H5N9O — CID 141321901

IUPAC2-(2,2,2-triazidoethyl)oxirane
SMILES[N-]=[N+]=NC(CC1CO1)(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C4H5N9O/c5-11-8-4(9-12-6,10-13-7)1-3-2-14-3/h3H,1-2H2
InChIKeyLUHWAHJAZPOTHO-UHFFFAOYSA-N
MW195.15 g/mol
LogP2.36
Rot. Bonds5

About 2-(2,2,2-triazidoethyl)oxirane

2-(2,2,2-triazidoethyl)oxirane (PubChem CID 141321901) has the molecular formula C4H5N9O and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-(2,2,2-triazidoethyl)oxirane.

Molecular Properties

Compound Name2-(2,2,2-triazidoethyl)oxirane
PubChem CID141321901
Molecular FormulaC4H5N9O
Molecular Weight195.15 g/mol
Exact Mass195.06
IUPAC Name2-(2,2,2-triazidoethyl)oxirane
SMILES[N-]=[N+]=NC(CC1CO1)(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C4H5N9O/c5-11-8-4(9-12-6,10-13-7)1-3-2-14-3/h3H,1-2H2
InChIKeyLUHWAHJAZPOTHO-UHFFFAOYSA-N
XLogP2.36
TPSA158.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 52.36
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-azido-2,2-bis(4-fluorophenyl)ethyl]-1,4-dioxane
CID 177496232
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635
2-(2-azido-2-phenylpropyl)-1,4-dioxane
CID 177440548
2,4-dimethyl-1,5-bis(oxiran-2-yl)-2,4-bis(oxiran-2-ylmethyl)pentane-3,3-diamine
CID 175809508
2-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butyl]oxirane
CID 58659971
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-[2,2-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 140676181
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
3-methyl-1,4-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)butan-2-ol
CID 175072964
2-(2-methoxy-2-methylpropyl)oxirane
CID 18626422

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-triazidoethyl)oxirane?
The IUPAC name of 2-(2,2,2-triazidoethyl)oxirane (CID 141321901) is 2-(2,2,2-triazidoethyl)oxirane.
What is the SMILES notation for 2-(2,2,2-triazidoethyl)oxirane?
The canonical SMILES for 2-(2,2,2-triazidoethyl)oxirane is [N-]=[N+]=NC(CC1CO1)(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 2-(2,2,2-triazidoethyl)oxirane?
The InChIKey is LUHWAHJAZPOTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N9O/c5-11-8-4(9-12-6,10-13-7)1-3-2-14-3/h3H,1-2H2.
What are the key properties of 2-(2,2,2-triazidoethyl)oxirane?
2-(2,2,2-triazidoethyl)oxirane has a molecular weight of 195.15 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-triazidoethyl)oxirane is sourced from PubChem (CID 141321901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).