3-azidopropan-1-ol

C3H7N3O — CID 10996974

IUPAC3-azidopropan-1-ol
SMILES[N-]=[N+]=NCCCO
InChIInChI=1S/C3H7N3O/c4-6-5-2-1-3-7/h7H,1-3H2
InChIKeyWHVSIWLMCCGHFW-UHFFFAOYSA-N
MW101.11 g/mol
LogP0.68
Rot. Bonds3

About 3-azidopropan-1-ol

3-azidopropan-1-ol (PubChem CID 10996974) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is 3-azidopropan-1-ol.

Molecular Properties

Compound Name3-azidopropan-1-ol
PubChem CID10996974
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name3-azidopropan-1-ol
SMILES[N-]=[N+]=NCCCO
InChIInChI=1S/C3H7N3O/c4-6-5-2-1-3-7/h7H,1-3H2
InChIKeyWHVSIWLMCCGHFW-UHFFFAOYSA-N
XLogP0.68
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

6-azidohexan-1-ol
CID 11051778
10-azidodecan-1-ol
CID 4641376
8-azidooctan-1-ol
CID 11789665
6-azidohexan-1-ol;6-bromohexan-1-ol
CID 159972484
1,14-diazidotetradecane
CID 146463967
CID 167612396
CID 167612396
6-azido-1,1-dideuteriohexan-1-ol
CID 175904391
2-[4-(3-azidopropyl)piperazin-1-yl]ethanol
CID 55139368
(2S)-5-azidopentane-1,2-diol
CID 22854627
3-azidopropyl(trihydroxy)silane
CID 135039230
1-azidobutane
CID 4563922
2-[bis(2-azidoethyl)amino]ethanol
CID 91611711

Frequently Asked Questions

What is the IUPAC name of 3-azidopropan-1-ol?
The IUPAC name of 3-azidopropan-1-ol (CID 10996974) is 3-azidopropan-1-ol.
What is the SMILES notation for 3-azidopropan-1-ol?
The canonical SMILES for 3-azidopropan-1-ol is [N-]=[N+]=NCCCO.
What is the InChIKey of 3-azidopropan-1-ol?
The InChIKey is WHVSIWLMCCGHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O/c4-6-5-2-1-3-7/h7H,1-3H2.
What are the key properties of 3-azidopropan-1-ol?
3-azidopropan-1-ol has a molecular weight of 101.11 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropan-1-ol is sourced from PubChem (CID 10996974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).