2-azidopropane-1,1,1,2-tetrol

C3H7N3O4 — CID 57148541

IUPAC2-azidopropane-1,1,1,2-tetrol
SMILESCC(O)(N=[N+]=[N-])C(O)(O)O
InChIInChI=1S/C3H7N3O4/c1-2(7,5-6-4)3(8,9)10/h7-10H,1H3
InChIKeySDLJPJWQQRMVCY-UHFFFAOYSA-N
MW149.11 g/mol
LogP-1.36
Rot. Bonds2

About 2-azidopropane-1,1,1,2-tetrol

2-azidopropane-1,1,1,2-tetrol (PubChem CID 57148541) has the molecular formula C3H7N3O4 and a molecular weight of 149.11 g/mol. Its IUPAC name is 2-azidopropane-1,1,1,2-tetrol.

Molecular Properties

Compound Name2-azidopropane-1,1,1,2-tetrol
PubChem CID57148541
Molecular FormulaC3H7N3O4
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Name2-azidopropane-1,1,1,2-tetrol
SMILESCC(O)(N=[N+]=[N-])C(O)(O)O
InChIInChI=1S/C3H7N3O4/c1-2(7,5-6-4)3(8,9)10/h7-10H,1H3
InChIKeySDLJPJWQQRMVCY-UHFFFAOYSA-N
XLogP-1.36
TPSA129.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-azidopropane-1,1,1,2-tetrol?
The IUPAC name of 2-azidopropane-1,1,1,2-tetrol (CID 57148541) is 2-azidopropane-1,1,1,2-tetrol.
What is the SMILES notation for 2-azidopropane-1,1,1,2-tetrol?
The canonical SMILES for 2-azidopropane-1,1,1,2-tetrol is CC(O)(N=[N+]=[N-])C(O)(O)O.
What is the InChIKey of 2-azidopropane-1,1,1,2-tetrol?
The InChIKey is SDLJPJWQQRMVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O4/c1-2(7,5-6-4)3(8,9)10/h7-10H,1H3.
What are the key properties of 2-azidopropane-1,1,1,2-tetrol?
2-azidopropane-1,1,1,2-tetrol has a molecular weight of 149.11 g/mol, XLogP of -1.36, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopropane-1,1,1,2-tetrol is sourced from PubChem (CID 57148541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).