3-azido-2-(azidomethyl)-2-methylpropan-1-ol

C5H10N6O — CID 14128692

IUPAC3-azido-2-(azidomethyl)-2-methylpropan-1-ol
SMILESCC(CO)(CN=[N+]=[N-])CN=[N+]=[N-]
InChIInChI=1S/C5H10N6O/c1-5(4-12,2-8-10-6)3-9-11-7/h12H,2-4H2,1H3
InChIKeyWHVWKYKHOGPDQQ-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.61
Rot. Bonds5

About 3-azido-2-(azidomethyl)-2-methylpropan-1-ol

3-azido-2-(azidomethyl)-2-methylpropan-1-ol (PubChem CID 14128692) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 3-azido-2-(azidomethyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-azido-2-(azidomethyl)-2-methylpropan-1-ol
PubChem CID14128692
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name3-azido-2-(azidomethyl)-2-methylpropan-1-ol
SMILESCC(CO)(CN=[N+]=[N-])CN=[N+]=[N-]
InChIInChI=1S/C5H10N6O/c1-5(4-12,2-8-10-6)3-9-11-7/h12H,2-4H2,1H3
InChIKeyWHVWKYKHOGPDQQ-UHFFFAOYSA-N
XLogP1.61
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-azido-2-(azidomethyl)-2-methylpropan-1-ol?
The IUPAC name of 3-azido-2-(azidomethyl)-2-methylpropan-1-ol (CID 14128692) is 3-azido-2-(azidomethyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-azido-2-(azidomethyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-azido-2-(azidomethyl)-2-methylpropan-1-ol is CC(CO)(CN=[N+]=[N-])CN=[N+]=[N-].
What is the InChIKey of 3-azido-2-(azidomethyl)-2-methylpropan-1-ol?
The InChIKey is WHVWKYKHOGPDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c1-5(4-12,2-8-10-6)3-9-11-7/h12H,2-4H2,1H3.
What are the key properties of 3-azido-2-(azidomethyl)-2-methylpropan-1-ol?
3-azido-2-(azidomethyl)-2-methylpropan-1-ol has a molecular weight of 170.18 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-(azidomethyl)-2-methylpropan-1-ol is sourced from PubChem (CID 14128692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).