CID 139212583

H3N9 — CID 139212583

IUPAC—
SMILES[N-]=[N+]=N.[N-]=[N+]=N.[N-]=[N+]=N
InChIInChI=1S/3HN3/c3*1-3-2/h3*1H
InChIKeyKQCUVJKLLOWCJL-UHFFFAOYSA-N
MW129.09 g/mol
LogP2.63
Rot. Bonds

About CID 139212583

CID 139212583 (PubChem CID 139212583) has the molecular formula H3N9 and a molecular weight of 129.09 g/mol.

Molecular Properties

Compound NameCID 139212583
PubChem CID139212583
Molecular FormulaH3N9
Molecular Weight129.09 g/mol
Exact Mass129.05
IUPAC Name—
SMILES[N-]=[N+]=N.[N-]=[N+]=N.[N-]=[N+]=N
InChIInChI=1S/3HN3/c3*1-3-2/h3*1H
InChIKeyKQCUVJKLLOWCJL-UHFFFAOYSA-N
XLogP2.63
TPSA180.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 139212583?
The IUPAC name of CID 139212583 (CID 139212583) is not available.
What is the SMILES notation for CID 139212583?
The canonical SMILES for CID 139212583 is [N-]=[N+]=N.[N-]=[N+]=N.[N-]=[N+]=N.
What is the InChIKey of CID 139212583?
The InChIKey is KQCUVJKLLOWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/3HN3/c3*1-3-2/h3*1H.
What are the key properties of CID 139212583?
CID 139212583 has a molecular weight of 129.09 g/mol, XLogP of 2.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139212583 is sourced from PubChem (CID 139212583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).