3-azidoprop-1-yne

C3H3N3 — CID 13328518

IUPAC3-azidoprop-1-yne
SMILESC#CCN=[N+]=[N-]
InChIInChI=1S/C3H3N3/c1-2-3-5-6-4/h1H,3H2
InChIKeyKNKSFTKZKDBSMH-UHFFFAOYSA-N
MW81.08 g/mol
LogP0.93
Rot. Bonds1

About 3-azidoprop-1-yne

3-azidoprop-1-yne (PubChem CID 13328518) has the molecular formula C3H3N3 and a molecular weight of 81.08 g/mol. Its IUPAC name is 3-azidoprop-1-yne.

Molecular Properties

Compound Name3-azidoprop-1-yne
PubChem CID13328518
Molecular FormulaC3H3N3
Molecular Weight81.08 g/mol
Exact Mass81.03
IUPAC Name3-azidoprop-1-yne
SMILESC#CCN=[N+]=[N-]
InChIInChI=1S/C3H3N3/c1-2-3-5-6-4/h1H,3H2
InChIKeyKNKSFTKZKDBSMH-UHFFFAOYSA-N
XLogP0.93
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.08
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-azido-11-prop-2-ynoxyundecane
CID 102411227
3-azidoprop-1-ynylcyclopropane
CID 22136527
2-azidoethyl-dodeca-1,3,5,7,9,11-hexaynyl-dimethylazanium
CID 118041546
1,14-diazidotetradecane
CID 146463967
tris(3-azidopropyl) phosphate;tris(prop-2-ynyl) phosphate
CID 162218576
2-(3-azidoprop-1-ynyl)pyrimidine
CID 150820488
azido(azidomethoxy)methane
CID 86050261
azido(isocyanato)methane
CID 19934317
N-(4-azidobutyl)pent-4-ynamide
CID 106386752
1-azidopropane;2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 165030217
5-azidohex-1-yne
CID 89255941
3-azidopropanenitrile;ethane
CID 91064767

Frequently Asked Questions

What is the IUPAC name of 3-azidoprop-1-yne?
The IUPAC name of 3-azidoprop-1-yne (CID 13328518) is 3-azidoprop-1-yne.
What is the SMILES notation for 3-azidoprop-1-yne?
The canonical SMILES for 3-azidoprop-1-yne is C#CCN=[N+]=[N-].
What is the InChIKey of 3-azidoprop-1-yne?
The InChIKey is KNKSFTKZKDBSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3/c1-2-3-5-6-4/h1H,3H2.
What are the key properties of 3-azidoprop-1-yne?
3-azidoprop-1-yne has a molecular weight of 81.08 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidoprop-1-yne is sourced from PubChem (CID 13328518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).