pyridin-3-ylmethyldiazene

C6H7N3 — CID 54345031

IUPACpyridin-3-ylmethyldiazene
SMILES[H]/N=N/Cc1cccnc1
InChIInChI=1S/C6H7N3/c7-9-5-6-2-1-3-8-4-6/h1-4,7H,5H2/b9-7+
InChIKeyUBSNUKLONFTOHF-VQHVLOKHSA-N
MW121.14 g/mol
LogP1.61
Rot. Bonds2

About pyridin-3-ylmethyldiazene

pyridin-3-ylmethyldiazene (PubChem CID 54345031) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is pyridin-3-ylmethyldiazene.

Molecular Properties

Compound Namepyridin-3-ylmethyldiazene
PubChem CID54345031
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Namepyridin-3-ylmethyldiazene
SMILES[H]/N=N/Cc1cccnc1
InChIInChI=1S/C6H7N3/c7-9-5-6-2-1-3-8-4-6/h1-4,7H,5H2/b9-7+
InChIKeyUBSNUKLONFTOHF-VQHVLOKHSA-N
XLogP1.61
TPSA49.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze pyridin-3-ylmethyldiazene 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

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-ethylpyridine
CID 10823
bis(pyridin-3-ylmethyl)azanium
CID 6946562
N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
CID 54404676
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
3-(benzylsulfanylmethyl)pyridine
CID 3025143
3-(pyridin-3-ylmethyl)-1,3,4-thiadiazol-2-imine
CID 19361574
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
3-pyridin-3-ylprop-1-en-1-ol;hydrochloride
CID 67682923
3-(ethynylsulfanylmethyl)pyridine
CID 69152778

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyldiazene?
The IUPAC name of pyridin-3-ylmethyldiazene (CID 54345031) is pyridin-3-ylmethyldiazene.
What is the SMILES notation for pyridin-3-ylmethyldiazene?
The canonical SMILES for pyridin-3-ylmethyldiazene is [H]/N=N/Cc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyldiazene?
The InChIKey is UBSNUKLONFTOHF-VQHVLOKHSA-N. The full InChI is InChI=1S/C6H7N3/c7-9-5-6-2-1-3-8-4-6/h1-4,7H,5H2/b9-7+.
What are the key properties of pyridin-3-ylmethyldiazene?
pyridin-3-ylmethyldiazene has a molecular weight of 121.14 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyldiazene is sourced from PubChem (CID 54345031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).