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CID 151884327

N12 — CID 151884327

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC—
SMILES[N-]=[N+]=NN=NN(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/N12/c1-4-7-8-11-12(9-5-2)10-6-3
InChIKeySPJQUSYZPKXGON-UHFFFAOYSA-N
MW168.08 g/mol
LogP2.33
Rot. Bonds4

About CID 151884327

CID 151884327 (PubChem CID 151884327) has the molecular formula N12 and a molecular weight of 168.08 g/mol.

Molecular Properties

Compound NameCID 151884327
PubChem CID151884327
Molecular FormulaN12
Molecular Weight168.08 g/mol
Exact Mass168.04
IUPAC Name—
SMILES[N-]=[N+]=NN=NN(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/N12/c1-4-7-8-11-12(9-5-2)10-6-3
InChIKeySPJQUSYZPKXGON-UHFFFAOYSA-N
XLogP2.33
TPSA174.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', '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 151884327?
The IUPAC name of CID 151884327 (CID 151884327) is not available.
What is the SMILES notation for CID 151884327?
The canonical SMILES for CID 151884327 is [N-]=[N+]=NN=NN(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of CID 151884327?
The InChIKey is SPJQUSYZPKXGON-UHFFFAOYSA-N. The full InChI is InChI=1S/N12/c1-4-7-8-11-12(9-5-2)10-6-3.
What are the key properties of CID 151884327?
CID 151884327 has a molecular weight of 168.08 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151884327 is sourced from PubChem (CID 151884327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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