[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium

C16H19N6+ — CID 147137280

IUPAC[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium
SMILESNc1nc(NC[NH2+]C2=CCC2)ccc1/N=N/c1ccccc1
InChIInChI=1S/C16H18N6/c17-16-14(22-21-13-5-2-1-3-6-13)9-10-15(20-16)19-11-18-12-7-4-8-12/h1-3,5-7,9-10,18H,4,8,11H2,(H3,17,19,20)/p+1/b22-21+
InChIKeyBRKKCSUWUTUIMP-QURGRASLSA-O
MW295.37 g/mol
LogP2.69
Rot. Bonds6

About [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium

[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium (PubChem CID 147137280) has the molecular formula C16H19N6+ and a molecular weight of 295.37 g/mol. Its IUPAC name is [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium.

Molecular Properties

Compound Name[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium
PubChem CID147137280
Molecular FormulaC16H19N6+
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium
SMILESNc1nc(NC[NH2+]C2=CCC2)ccc1/N=N/c1ccccc1
InChIInChI=1S/C16H18N6/c17-16-14(22-21-13-5-2-1-3-6-13)9-10-15(20-16)19-11-18-12-7-4-8-12/h1-3,5-7,9-10,18H,4,8,11H2,(H3,17,19,20)/p+1/b22-21+
InChIKeyBRKKCSUWUTUIMP-QURGRASLSA-O
XLogP2.69
TPSA92.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium 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-phenyldiazenylpyridine-2,6-diamine;hydrate
CID 139146043
6-ethyl-3-phenyldiazenylpyridin-2-amine
CID 91362833
2-amino-N-(6-amino-5-phenyldiazenyl-2-pyridinyl)propanamide
CID 75184721
acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173010662
acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87308906
1-chlorohexadecane;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87072530
5-amino-6-phenyldiazenyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136821633
chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173035225
palladium(2+);bis(2-phenyldiazenylphenolate)
CID 171041085
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
4-phenyldiazenylpyridine-2,3-diamine;hydrochloride
CID 57365046
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770

Frequently Asked Questions

What is the IUPAC name of [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium?
The IUPAC name of [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium (CID 147137280) is [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium.
What is the SMILES notation for [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium?
The canonical SMILES for [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium is Nc1nc(NC[NH2+]C2=CCC2)ccc1/N=N/c1ccccc1.
What is the InChIKey of [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium?
The InChIKey is BRKKCSUWUTUIMP-QURGRASLSA-O. The full InChI is InChI=1S/C16H18N6/c17-16-14(22-21-13-5-2-1-3-6-13)9-10-15(20-16)19-11-18-12-7-4-8-12/h1-3,5-7,9-10,18H,4,8,11H2,(H3,17,19,20)/p+1/b22-21+.
What are the key properties of [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium?
[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium has a molecular weight of 295.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium is sourced from PubChem (CID 147137280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).