2-azidopropane-1,3-diol;methane

C4H11N3O2 — CID 167665258

IUPAC2-azidopropane-1,3-diol;methane
SMILESC.[N-]=[N+]=NC(CO)CO
InChIInChI=1S/C3H7N3O2.CH4/c4-6-5-3(1-7)2-8;/h3,7-8H,1-2H2;1H4
InChIKeySNSHNZVWFPDPIK-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.29
Rot. Bonds3

About 2-azidopropane-1,3-diol;methane

2-azidopropane-1,3-diol;methane (PubChem CID 167665258) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-azidopropane-1,3-diol;methane.

Molecular Properties

Compound Name2-azidopropane-1,3-diol;methane
PubChem CID167665258
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Name2-azidopropane-1,3-diol;methane
SMILESC.[N-]=[N+]=NC(CO)CO
InChIInChI=1S/C3H7N3O2.CH4/c4-6-5-3(1-7)2-8;/h3,7-8H,1-2H2;1H4
InChIKeySNSHNZVWFPDPIK-UHFFFAOYSA-N
XLogP0.29
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
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'}

Analyze 2-azidopropane-1,3-diol;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azidopropane-1,3-diol;methane?
The IUPAC name of 2-azidopropane-1,3-diol;methane (CID 167665258) is 2-azidopropane-1,3-diol;methane.
What is the SMILES notation for 2-azidopropane-1,3-diol;methane?
The canonical SMILES for 2-azidopropane-1,3-diol;methane is C.[N-]=[N+]=NC(CO)CO.
What is the InChIKey of 2-azidopropane-1,3-diol;methane?
The InChIKey is SNSHNZVWFPDPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2.CH4/c4-6-5-3(1-7)2-8;/h3,7-8H,1-2H2;1H4.
What are the key properties of 2-azidopropane-1,3-diol;methane?
2-azidopropane-1,3-diol;methane has a molecular weight of 133.15 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopropane-1,3-diol;methane is sourced from PubChem (CID 167665258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).