bis(1H-pyrazol-4-yl)diazene

C6H6N6 — CID 172560881

IUPACbis(1H-pyrazol-4-yl)diazene
SMILESc1n[nH]cc1/N=N/c1cn[nH]c1
InChIInChI=1S/C6H6N6/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)/b12-11+
InChIKeyPQHUPXFOQKPEMO-VAWYXSNFSA-N
MW162.16 g/mol
LogP1.55
Rot. Bonds2

About bis(1H-pyrazol-4-yl)diazene

bis(1H-pyrazol-4-yl)diazene (PubChem CID 172560881) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is bis(1H-pyrazol-4-yl)diazene.

Molecular Properties

Compound Namebis(1H-pyrazol-4-yl)diazene
PubChem CID172560881
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namebis(1H-pyrazol-4-yl)diazene
SMILESc1n[nH]cc1/N=N/c1cn[nH]c1
InChIInChI=1S/C6H6N6/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)/b12-11+
InChIKeyPQHUPXFOQKPEMO-VAWYXSNFSA-N
XLogP1.55
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
1H-pyrazole-4-selenol
CID 172769094
4-(1H-pyrazol-4-yldisulfanyl)-1H-pyrazole
CID 4275268
4-tert-butyl-1H-pyrazole;ethane
CID 142062876
4-bromo-1H-pyrazole;methanamine
CID 174368841
N-fluoro-1H-pyrazol-4-amine
CID 145171249
1H-pyrazol-4-ylmethanol
CID 3015210
4-isocyano-1H-pyrazole
CID 83478492
5-hydroxy-1H-pyridazin-4-one
CID 13001072
methoxy-methyl-(1H-pyrazol-4-yl)borane
CID 123962893
hydron;1H-pyrazole-4-carbonitrile
CID 174812975
N-(1,4,2-dioxazinan-3-ylidene)-1H-pyrazole-4-sulfonamide
CID 173117117

Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrazol-4-yl)diazene?
The IUPAC name of bis(1H-pyrazol-4-yl)diazene (CID 172560881) is bis(1H-pyrazol-4-yl)diazene.
What is the SMILES notation for bis(1H-pyrazol-4-yl)diazene?
The canonical SMILES for bis(1H-pyrazol-4-yl)diazene is c1n[nH]cc1/N=N/c1cn[nH]c1.
What is the InChIKey of bis(1H-pyrazol-4-yl)diazene?
The InChIKey is PQHUPXFOQKPEMO-VAWYXSNFSA-N. The full InChI is InChI=1S/C6H6N6/c1-5(2-8-7-1)11-12-6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)/b12-11+.
What are the key properties of bis(1H-pyrazol-4-yl)diazene?
bis(1H-pyrazol-4-yl)diazene has a molecular weight of 162.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrazol-4-yl)diazene is sourced from PubChem (CID 172560881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).