(3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene

C17H15N7 — CID 90967094

IUPAC(3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
SMILESCc1cccnc1N=NC(N=Nc1ccccn1)c1cccnc1
InChIInChI=1S/C17H15N7/c1-13-6-4-11-20-16(13)22-24-17(14-7-5-9-18-12-14)23-21-15-8-2-3-10-19-15/h2-12,17H,1H3
InChIKeyQAYRJXHXHXQIRL-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.75
Rot. Bonds5

About (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene

(3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene (PubChem CID 90967094) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
PubChem CID90967094
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
SMILESCc1cccnc1N=NC(N=Nc1ccccn1)c1cccnc1
InChIInChI=1S/C17H15N7/c1-13-6-4-11-20-16(13)22-24-17(14-7-5-9-18-12-14)23-21-15-8-2-3-10-19-15/h2-12,17H,1H3
InChIKeyQAYRJXHXHXQIRL-UHFFFAOYSA-N
XLogP4.75
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
CID 90968178
2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile
CID 136648837
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
dipyridin-2-yldiazene;osmium
CID 173074203
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
(S)-pyridin-2-yl(pyridin-3-yl)methanol
CID 86315351
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
The IUPAC name of (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene (CID 90967094) is (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
The canonical SMILES for (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene is Cc1cccnc1N=NC(N=Nc1ccccn1)c1cccnc1.
What is the InChIKey of (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
The InChIKey is QAYRJXHXHXQIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-13-6-4-11-20-16(13)22-24-17(14-7-5-9-18-12-14)23-21-15-8-2-3-10-19-15/h2-12,17H,1H3.
What are the key properties of (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene?
(3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene has a molecular weight of 317.36 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene is sourced from PubChem (CID 90967094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).