6-azaniumylhexa-2,4-diynylazanium

C6H10N2+2 — CID 59154286

IUPAC6-azaniumylhexa-2,4-diynylazanium
SMILES[NH3+]CC#CC#CC[NH3+]
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h5-8H2/p+2
InChIKeyAIYPMVLGZIAKRM-UHFFFAOYSA-P
MW110.16 g/mol
LogP-2.52
Rot. Bonds

About 6-azaniumylhexa-2,4-diynylazanium

6-azaniumylhexa-2,4-diynylazanium (PubChem CID 59154286) has the molecular formula C6H10N2+2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 6-azaniumylhexa-2,4-diynylazanium.

Molecular Properties

Compound Name6-azaniumylhexa-2,4-diynylazanium
PubChem CID59154286
Molecular FormulaC6H10N2+2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name6-azaniumylhexa-2,4-diynylazanium
SMILES[NH3+]CC#CC#CC[NH3+]
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h5-8H2/p+2
InChIKeyAIYPMVLGZIAKRM-UHFFFAOYSA-P
XLogP-2.52
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azaniumylhexa-2,4-diynylazanium?
The IUPAC name of 6-azaniumylhexa-2,4-diynylazanium (CID 59154286) is 6-azaniumylhexa-2,4-diynylazanium.
What is the SMILES notation for 6-azaniumylhexa-2,4-diynylazanium?
The canonical SMILES for 6-azaniumylhexa-2,4-diynylazanium is [NH3+]CC#CC#CC[NH3+].
What is the InChIKey of 6-azaniumylhexa-2,4-diynylazanium?
The InChIKey is AIYPMVLGZIAKRM-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h5-8H2/p+2.
What are the key properties of 6-azaniumylhexa-2,4-diynylazanium?
6-azaniumylhexa-2,4-diynylazanium has a molecular weight of 110.16 g/mol, XLogP of -2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaniumylhexa-2,4-diynylazanium is sourced from PubChem (CID 59154286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).