1-amino-3-azidopropan-2-ol

C3H8N4O — CID 150484023

IUPAC1-amino-3-azidopropan-2-ol
SMILES[N-]=[N+]=NCC(O)CN
InChIInChI=1S/C3H8N4O/c4-1-3(8)2-6-7-5/h3,8H,1-2,4H2
InChIKeyHUKQYPNWHMGNIB-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.38
Rot. Bonds3

About 1-amino-3-azidopropan-2-ol

1-amino-3-azidopropan-2-ol (PubChem CID 150484023) has the molecular formula C3H8N4O and a molecular weight of 116.12 g/mol. Its IUPAC name is 1-amino-3-azidopropan-2-ol.

Molecular Properties

Compound Name1-amino-3-azidopropan-2-ol
PubChem CID150484023
Molecular FormulaC3H8N4O
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC Name1-amino-3-azidopropan-2-ol
SMILES[N-]=[N+]=NCC(O)CN
InChIInChI=1S/C3H8N4O/c4-1-3(8)2-6-7-5/h3,8H,1-2,4H2
InChIKeyHUKQYPNWHMGNIB-UHFFFAOYSA-N
XLogP-0.38
TPSA95.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.38
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 1-amino-3-azidopropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-4-azidobutane-1,3-diol
CID 130698557
5-azidopentane-1,2,4-triol
CID 90777098
(2S)-1-azido-4-methylpentan-2-ol
CID 99983319
1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane
CID 161343566
ethyl 4-azido-3-hydroxybutanoate
CID 14685344
ethyl (3S)-4-azido-3-hydroxybutanoate
CID 10888398
(2S)-1-azido-3-phenylpropan-2-ol
CID 101111843
3-azido-2-hydroxypropanenitrile
CID 66429652
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
(2R,3S)-2-amino-4-azido-3-hydroxybutanoate
CID 135081181
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
CID 175729762
CID 175729762

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-azidopropan-2-ol?
The IUPAC name of 1-amino-3-azidopropan-2-ol (CID 150484023) is 1-amino-3-azidopropan-2-ol.
What is the SMILES notation for 1-amino-3-azidopropan-2-ol?
The canonical SMILES for 1-amino-3-azidopropan-2-ol is [N-]=[N+]=NCC(O)CN.
What is the InChIKey of 1-amino-3-azidopropan-2-ol?
The InChIKey is HUKQYPNWHMGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O/c4-1-3(8)2-6-7-5/h3,8H,1-2,4H2.
What are the key properties of 1-amino-3-azidopropan-2-ol?
1-amino-3-azidopropan-2-ol has a molecular weight of 116.12 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-azidopropan-2-ol is sourced from PubChem (CID 150484023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).