2-azido-1H-imidazole;perchloric acid

C3H4ClN5O4 — CID 71416997

IUPAC2-azido-1H-imidazole;perchloric acid
SMILES[N-]=[N+]=Nc1ncc[nH]1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C3H3N5.ClHO4/c4-8-7-3-5-1-2-6-3;2-1(3,4)5/h1-2H,(H,5,6);(H,2,3,4,5)
InChIKeyCJHNBYJTCYEXQW-UHFFFAOYSA-N
MW209.55 g/mol
LogP-2.77
Rot. Bonds1

About 2-azido-1H-imidazole;perchloric acid

2-azido-1H-imidazole;perchloric acid (PubChem CID 71416997) has the molecular formula C3H4ClN5O4 and a molecular weight of 209.55 g/mol. Its IUPAC name is 2-azido-1H-imidazole;perchloric acid.

Molecular Properties

Compound Name2-azido-1H-imidazole;perchloric acid
PubChem CID71416997
Molecular FormulaC3H4ClN5O4
Molecular Weight209.55 g/mol
Exact Mass209.00
IUPAC Name2-azido-1H-imidazole;perchloric acid
SMILES[N-]=[N+]=Nc1ncc[nH]1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C3H3N5.ClHO4/c4-8-7-3-5-1-2-6-3;2-1(3,4)5/h1-2H,(H,5,6);(H,2,3,4,5)
InChIKeyCJHNBYJTCYEXQW-UHFFFAOYSA-N
XLogP-2.77
TPSA166.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.55
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

CID 795
CID 795
CID 10701
CID 10701
CID 82140
CID 82140
CID 10197644
CID 10197644
CID 2773261
CID 2773261
CID 2773328
CID 2773328
CID 484
CID 484
CID 135136
CID 135136
CID 2773468
CID 2773468
CID 2733479
CID 2733479
CID 11701027
CID 11701027
CID 444234
CID 444234

Frequently Asked Questions

What is the IUPAC name of 2-azido-1H-imidazole;perchloric acid?
The IUPAC name of 2-azido-1H-imidazole;perchloric acid (CID 71416997) is 2-azido-1H-imidazole;perchloric acid.
What is the SMILES notation for 2-azido-1H-imidazole;perchloric acid?
The canonical SMILES for 2-azido-1H-imidazole;perchloric acid is [N-]=[N+]=Nc1ncc[nH]1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 2-azido-1H-imidazole;perchloric acid?
The InChIKey is CJHNBYJTCYEXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5.ClHO4/c4-8-7-3-5-1-2-6-3;2-1(3,4)5/h1-2H,(H,5,6);(H,2,3,4,5).
What are the key properties of 2-azido-1H-imidazole;perchloric acid?
2-azido-1H-imidazole;perchloric acid has a molecular weight of 209.55 g/mol, XLogP of -2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1H-imidazole;perchloric acid is sourced from PubChem (CID 71416997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).