CID 173008645

HCuN3 — CID 173008645

IUPAC—
SMILES[Cu].[N-]=[N+]=N
InChIInChI=1S/Cu.HN3/c;1-3-2/h;1H
InChIKeyHQOJXVXVWNZQEM-UHFFFAOYSA-N
MW106.58 g/mol
LogP0.87
Rot. Bonds

About CID 173008645

CID 173008645 (PubChem CID 173008645) has the molecular formula HCuN3 and a molecular weight of 106.58 g/mol.

Molecular Properties

Compound NameCID 173008645
PubChem CID173008645
Molecular FormulaHCuN3
Molecular Weight106.58 g/mol
Exact Mass105.95
IUPAC Name—
SMILES[Cu].[N-]=[N+]=N
InChIInChI=1S/Cu.HN3/c;1-3-2/h;1H
InChIKeyHQOJXVXVWNZQEM-UHFFFAOYSA-N
XLogP0.87
TPSA60.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.58
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 CID 173008645?
The IUPAC name of CID 173008645 (CID 173008645) is not available.
What is the SMILES notation for CID 173008645?
The canonical SMILES for CID 173008645 is [Cu].[N-]=[N+]=N.
What is the InChIKey of CID 173008645?
The InChIKey is HQOJXVXVWNZQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.HN3/c;1-3-2/h;1H.
What are the key properties of CID 173008645?
CID 173008645 has a molecular weight of 106.58 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173008645 is sourced from PubChem (CID 173008645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).