CID 139212552

H2N6 — CID 139212552

IUPAC—
SMILES[N-]=[N+]=N.[N-]=[N+]=N
InChIInChI=1S/2HN3/c2*1-3-2/h2*1H
InChIKeyPPTSBJPLFWDJMR-UHFFFAOYSA-N
MW86.06 g/mol
LogP1.75
Rot. Bonds

About CID 139212552

CID 139212552 (PubChem CID 139212552) has the molecular formula H2N6 and a molecular weight of 86.06 g/mol.

Molecular Properties

Compound NameCID 139212552
PubChem CID139212552
Molecular FormulaH2N6
Molecular Weight86.06 g/mol
Exact Mass86.03
IUPAC Name—
SMILES[N-]=[N+]=N.[N-]=[N+]=N
InChIInChI=1S/2HN3/c2*1-3-2/h2*1H
InChIKeyPPTSBJPLFWDJMR-UHFFFAOYSA-N
XLogP1.75
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.06
LogP ≤ 51.75
H-Bond Donors ≤ 52
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 CID 139212552?
The IUPAC name of CID 139212552 (CID 139212552) is not available.
What is the SMILES notation for CID 139212552?
The canonical SMILES for CID 139212552 is [N-]=[N+]=N.[N-]=[N+]=N.
What is the InChIKey of CID 139212552?
The InChIKey is PPTSBJPLFWDJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2HN3/c2*1-3-2/h2*1H.
What are the key properties of CID 139212552?
CID 139212552 has a molecular weight of 86.06 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139212552 is sourced from PubChem (CID 139212552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).