2-(3-azidoprop-1-enyl)-1-methylimidazole

C7H9N5 — CID 169461225

IUPAC2-(3-azidoprop-1-enyl)-1-methylimidazole
SMILESCn1ccnc1C=CCN=[N+]=[N-]
InChIInChI=1S/C7H9N5/c1-12-6-5-9-7(12)3-2-4-10-11-8/h2-3,5-6H,4H2,1H3
InChIKeyDEPHZOKAGRRCOZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-azidoprop-1-enyl)-1-methylimidazole

2-(3-azidoprop-1-enyl)-1-methylimidazole (PubChem CID 169461225) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-1-methylimidazole
PubChem CID169461225
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2-(3-azidoprop-1-enyl)-1-methylimidazole
SMILESCn1ccnc1C=CCN=[N+]=[N-]
InChIInChI=1S/C7H9N5/c1-12-6-5-9-7(12)3-2-4-10-11-8/h2-3,5-6H,4H2,1H3
InChIKeyDEPHZOKAGRRCOZ-UHFFFAOYSA-N
XLogP1.74
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
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'}

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Related Compounds

4-(1-methylimidazol-2-yl)but-3-en-1-ol
CID 170475975
4-(1-methylimidazol-2-yl)but-3-ene-1-thiol
CID 170477706
1-(2-azidoethyl)-2-(1-methylimidazol-2-yl)imidazole
CID 162702986
1-methyl-2-prop-1-enylimidazole;hydroiodide
CID 175574352
(E)-1-hydroxy-4-(1-methylimidazol-2-yl)but-3-en-2-one
CID 134316804
3-(1-methylimidazol-2-yl)prop-2-enal
CID 131852628
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
5-(3-azidoprop-1-enyl)pyrazin-2-amine
CID 169461316
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679
N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
CID 101458660
[5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol
CID 169461523

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-1-methylimidazole?
The IUPAC name of 2-(3-azidoprop-1-enyl)-1-methylimidazole (CID 169461225) is 2-(3-azidoprop-1-enyl)-1-methylimidazole.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-1-methylimidazole?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-1-methylimidazole is Cn1ccnc1C=CCN=[N+]=[N-].
What is the InChIKey of 2-(3-azidoprop-1-enyl)-1-methylimidazole?
The InChIKey is DEPHZOKAGRRCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-12-6-5-9-7(12)3-2-4-10-11-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(3-azidoprop-1-enyl)-1-methylimidazole?
2-(3-azidoprop-1-enyl)-1-methylimidazole has a molecular weight of 163.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-1-methylimidazole is sourced from PubChem (CID 169461225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).