pyridin-1-ium-1-ylazanide

C5H6N2 — CID 564962

IUPACpyridin-1-ium-1-ylazanide
SMILES[NH-][n+]1ccccc1
InChIInChI=1S/C5H6N2/c6-7-4-2-1-3-5-7/h1-6H
InChIKeyLWBPCECUDKEKAD-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.79
Rot. Bonds

About pyridin-1-ium-1-ylazanide

pyridin-1-ium-1-ylazanide (PubChem CID 564962) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is pyridin-1-ium-1-ylazanide.

Molecular Properties

Compound Namepyridin-1-ium-1-ylazanide
PubChem CID564962
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Namepyridin-1-ium-1-ylazanide
SMILES[NH-][n+]1ccccc1
InChIInChI=1S/C5H6N2/c6-7-4-2-1-3-5-7/h1-6H
InChIKeyLWBPCECUDKEKAD-UHFFFAOYSA-N
XLogP0.79
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze pyridin-1-ium-1-ylazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium-1-ylazanide?
The IUPAC name of pyridin-1-ium-1-ylazanide (CID 564962) is pyridin-1-ium-1-ylazanide.
What is the SMILES notation for pyridin-1-ium-1-ylazanide?
The canonical SMILES for pyridin-1-ium-1-ylazanide is [NH-][n+]1ccccc1.
What is the InChIKey of pyridin-1-ium-1-ylazanide?
The InChIKey is LWBPCECUDKEKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c6-7-4-2-1-3-5-7/h1-6H.
What are the key properties of pyridin-1-ium-1-ylazanide?
pyridin-1-ium-1-ylazanide has a molecular weight of 94.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium-1-ylazanide is sourced from PubChem (CID 564962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).