3-diazoprop-1-yne

C3H2N2 — CID 13023724

IUPAC3-diazoprop-1-yne
SMILESC#CC=[N+]=[N-]
InChIInChI=1S/C3H2N2/c1-2-3-5-4/h1,3H
InChIKeyCTZFBSDRSZNOBE-UHFFFAOYSA-N
MW66.06 g/mol
LogP-0.08
Rot. Bonds

About 3-diazoprop-1-yne

3-diazoprop-1-yne (PubChem CID 13023724) has the molecular formula C3H2N2 and a molecular weight of 66.06 g/mol. Its IUPAC name is 3-diazoprop-1-yne.

Molecular Properties

Compound Name3-diazoprop-1-yne
PubChem CID13023724
Molecular FormulaC3H2N2
Molecular Weight66.06 g/mol
Exact Mass66.02
IUPAC Name3-diazoprop-1-yne
SMILESC#CC=[N+]=[N-]
InChIInChI=1S/C3H2N2/c1-2-3-5-4/h1,3H
InChIKeyCTZFBSDRSZNOBE-UHFFFAOYSA-N
XLogP-0.08
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.06
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 101397745
CID 101397745
3-azidoprop-1-yne
CID 13328518
azidoethene;prop-1-yne
CID 123505749
(1E)-N-azidomethanimidoyl fluoride;fluoroethyne;methane
CID 172955686
2-deuteriobut-1-en-3-yne
CID 56648350
pent-2-en-4-ynoic acid
CID 54170005
but-1-en-3-yne;methanol
CID 158856275
3-diazo-2-methylpropanenitrile
CID 22603505
CID 139212542
CID 139212542
carbon dioxide;1-diazopropane;methane
CID 160799033
4-azidohex-5-en-1-yn-3-amine
CID 175452506
CID 6431953
CID 6431953

Frequently Asked Questions

What is the IUPAC name of 3-diazoprop-1-yne?
The IUPAC name of 3-diazoprop-1-yne (CID 13023724) is 3-diazoprop-1-yne.
What is the SMILES notation for 3-diazoprop-1-yne?
The canonical SMILES for 3-diazoprop-1-yne is C#CC=[N+]=[N-].
What is the InChIKey of 3-diazoprop-1-yne?
The InChIKey is CTZFBSDRSZNOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2/c1-2-3-5-4/h1,3H.
What are the key properties of 3-diazoprop-1-yne?
3-diazoprop-1-yne has a molecular weight of 66.06 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazoprop-1-yne is sourced from PubChem (CID 13023724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).