4-(azidomethyl)-5-methyl-1H-imidazole

C5H7N5 — CID 57066865

IUPAC4-(azidomethyl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CN=[N+]=[N-]
InChIInChI=1S/C5H7N5/c1-4-5(2-9-10-6)8-3-7-4/h3H,2H2,1H3,(H,7,8)
InChIKeyUZKUYGHEUYEJRZ-UHFFFAOYSA-N
MW137.15 g/mol
LogP1.53
Rot. Bonds2

About 4-(azidomethyl)-5-methyl-1H-imidazole

4-(azidomethyl)-5-methyl-1H-imidazole (PubChem CID 57066865) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 4-(azidomethyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(azidomethyl)-5-methyl-1H-imidazole
PubChem CID57066865
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name4-(azidomethyl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CN=[N+]=[N-]
InChIInChI=1S/C5H7N5/c1-4-5(2-9-10-6)8-3-7-4/h3H,2H2,1H3,(H,7,8)
InChIKeyUZKUYGHEUYEJRZ-UHFFFAOYSA-N
XLogP1.53
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 51.53
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 4-(azidomethyl)-5-methyl-1H-imidazole?
The IUPAC name of 4-(azidomethyl)-5-methyl-1H-imidazole (CID 57066865) is 4-(azidomethyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(azidomethyl)-5-methyl-1H-imidazole?
The canonical SMILES for 4-(azidomethyl)-5-methyl-1H-imidazole is Cc1[nH]cnc1CN=[N+]=[N-].
What is the InChIKey of 4-(azidomethyl)-5-methyl-1H-imidazole?
The InChIKey is UZKUYGHEUYEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c1-4-5(2-9-10-6)8-3-7-4/h3H,2H2,1H3,(H,7,8).
What are the key properties of 4-(azidomethyl)-5-methyl-1H-imidazole?
4-(azidomethyl)-5-methyl-1H-imidazole has a molecular weight of 137.15 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 57066865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).