2-diazoimidazole

C3H2N4 — CID 12622720

IUPAC2-diazoimidazole
SMILES[N-]=[N+]=C1N=CC=N1
InChIInChI=1S/C3H2N4/c4-7-3-5-1-2-6-3/h1-2H
InChIKeyFPHTXVLCFRUKHV-UHFFFAOYSA-N
MW94.08 g/mol
LogP-0.27
Rot. Bonds

About 2-diazoimidazole

2-diazoimidazole (PubChem CID 12622720) has the molecular formula C3H2N4 and a molecular weight of 94.08 g/mol. Its IUPAC name is 2-diazoimidazole.

Molecular Properties

Compound Name2-diazoimidazole
PubChem CID12622720
Molecular FormulaC3H2N4
Molecular Weight94.08 g/mol
Exact Mass94.03
IUPAC Name2-diazoimidazole
SMILES[N-]=[N+]=C1N=CC=N1
InChIInChI=1S/C3H2N4/c4-7-3-5-1-2-6-3/h1-2H
InChIKeyFPHTXVLCFRUKHV-UHFFFAOYSA-N
XLogP-0.27
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-0.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazoimidazole?
The IUPAC name of 2-diazoimidazole (CID 12622720) is 2-diazoimidazole.
What is the SMILES notation for 2-diazoimidazole?
The canonical SMILES for 2-diazoimidazole is [N-]=[N+]=C1N=CC=N1.
What is the InChIKey of 2-diazoimidazole?
The InChIKey is FPHTXVLCFRUKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4/c4-7-3-5-1-2-6-3/h1-2H.
What are the key properties of 2-diazoimidazole?
2-diazoimidazole has a molecular weight of 94.08 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazoimidazole is sourced from PubChem (CID 12622720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).