pyridin-4-ylmethylazanium

C6H9N2+ — CID 3822501

IUPACpyridin-4-ylmethylazanium
SMILES[NH3+]Cc1ccncc1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2/p+1
InChIKeyTXQWFIVRZNOPCK-UHFFFAOYSA-O
MW109.15 g/mol
LogP-0.18
Rot. Bonds1

About pyridin-4-ylmethylazanium

pyridin-4-ylmethylazanium (PubChem CID 3822501) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is pyridin-4-ylmethylazanium.

Molecular Properties

Compound Namepyridin-4-ylmethylazanium
PubChem CID3822501
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Namepyridin-4-ylmethylazanium
SMILES[NH3+]Cc1ccncc1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2/p+1
InChIKeyTXQWFIVRZNOPCK-UHFFFAOYSA-O
XLogP-0.18
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze pyridin-4-ylmethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-pyridin-4-ylbutylazanium chloride
CID 23273592
bis(3,5-dinitrobenzoate);bis(pyridin-4-ylmethylazanium)
CID 139176745
5-pyridin-4-ylpentylazanium chloride
CID 23273749
ethane;4-ethylpyridine
CID 142005045
benzylazanium;ethene;chloride
CID 161138750
CID 174107142
CID 174107142
[4-(chloromethyl)phenyl]methylazanium chloride
CID 178000325
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
2-pyridin-4-ylacetaldehyde
CID 18688704

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethylazanium?
The IUPAC name of pyridin-4-ylmethylazanium (CID 3822501) is pyridin-4-ylmethylazanium.
What is the SMILES notation for pyridin-4-ylmethylazanium?
The canonical SMILES for pyridin-4-ylmethylazanium is [NH3+]Cc1ccncc1.
What is the InChIKey of pyridin-4-ylmethylazanium?
The InChIKey is TXQWFIVRZNOPCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2/p+1.
What are the key properties of pyridin-4-ylmethylazanium?
pyridin-4-ylmethylazanium has a molecular weight of 109.15 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethylazanium is sourced from PubChem (CID 3822501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).