5-azido-2-methyl-1H-imidazole

C4H5N5 — CID 136619780

IUPAC5-azido-2-methyl-1H-imidazole
SMILESCc1ncc(N=[N+]=[N-])[nH]1
InChIInChI=1S/C4H5N5/c1-3-6-2-4(7-3)8-9-5/h2H,1H3,(H,6,7)
InChIKeyQHLXRPKFVXQRHJ-UHFFFAOYSA-N
MW123.12 g/mol
LogP1.66
Rot. Bonds1

About 5-azido-2-methyl-1H-imidazole

5-azido-2-methyl-1H-imidazole (PubChem CID 136619780) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 5-azido-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-azido-2-methyl-1H-imidazole
PubChem CID136619780
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name5-azido-2-methyl-1H-imidazole
SMILESCc1ncc(N=[N+]=[N-])[nH]1
InChIInChI=1S/C4H5N5/c1-3-6-2-4(7-3)8-9-5/h2H,1H3,(H,6,7)
InChIKeyQHLXRPKFVXQRHJ-UHFFFAOYSA-N
XLogP1.66
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 5-azido-2-methyl-1H-imidazole?
The IUPAC name of 5-azido-2-methyl-1H-imidazole (CID 136619780) is 5-azido-2-methyl-1H-imidazole.
What is the SMILES notation for 5-azido-2-methyl-1H-imidazole?
The canonical SMILES for 5-azido-2-methyl-1H-imidazole is Cc1ncc(N=[N+]=[N-])[nH]1.
What is the InChIKey of 5-azido-2-methyl-1H-imidazole?
The InChIKey is QHLXRPKFVXQRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c1-3-6-2-4(7-3)8-9-5/h2H,1H3,(H,6,7).
What are the key properties of 5-azido-2-methyl-1H-imidazole?
5-azido-2-methyl-1H-imidazole has a molecular weight of 123.12 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-methyl-1H-imidazole is sourced from PubChem (CID 136619780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).