2-azidopropane-1,1,1-triol

C3H7N3O3 — CID 141130281

IUPAC2-azidopropane-1,1,1-triol
SMILESCC(N=[N+]=[N-])C(O)(O)O
InChIInChI=1S/C3H7N3O3/c1-2(5-6-4)3(7,8)9/h2,7-9H,1H3
InChIKeySBAVXZOFQGNMSZ-UHFFFAOYSA-N
MW133.11 g/mol
LogP-0.68
Rot. Bonds2

About 2-azidopropane-1,1,1-triol

2-azidopropane-1,1,1-triol (PubChem CID 141130281) has the molecular formula C3H7N3O3 and a molecular weight of 133.11 g/mol. Its IUPAC name is 2-azidopropane-1,1,1-triol.

Molecular Properties

Compound Name2-azidopropane-1,1,1-triol
PubChem CID141130281
Molecular FormulaC3H7N3O3
Molecular Weight133.11 g/mol
Exact Mass133.05
IUPAC Name2-azidopropane-1,1,1-triol
SMILESCC(N=[N+]=[N-])C(O)(O)O
InChIInChI=1S/C3H7N3O3/c1-2(5-6-4)3(7,8)9/h2,7-9H,1H3
InChIKeySBAVXZOFQGNMSZ-UHFFFAOYSA-N
XLogP-0.68
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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1-azido-1-chloropropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-azidopropane-1,1,1-triol?
The IUPAC name of 2-azidopropane-1,1,1-triol (CID 141130281) is 2-azidopropane-1,1,1-triol.
What is the SMILES notation for 2-azidopropane-1,1,1-triol?
The canonical SMILES for 2-azidopropane-1,1,1-triol is CC(N=[N+]=[N-])C(O)(O)O.
What is the InChIKey of 2-azidopropane-1,1,1-triol?
The InChIKey is SBAVXZOFQGNMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O3/c1-2(5-6-4)3(7,8)9/h2,7-9H,1H3.
What are the key properties of 2-azidopropane-1,1,1-triol?
2-azidopropane-1,1,1-triol has a molecular weight of 133.11 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopropane-1,1,1-triol is sourced from PubChem (CID 141130281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).