N,N-dimethyl-4-(1H-pentazol-1-yl)aniline

• ChemBase ID: 125429
• Molecular Formular: C8H10N6
• Molecular Mass: 190.2052
• Monoisotopic Mass: 190.09669435
• SMILES: CN(C)c1ccc(cc1)n1nnnn1
• Canonical SMILES: CN(c1ccc(cc1)n1nnnn1)C
• InChI: InChI=1S/C8H10N6/c1-13(2)7-3-5-8(6-4-7)14-11-9-10-12-14/h3-6H,1-2H3
• InChIKey: OICBARXSRMXZPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(1H-pentazol-1-yl)aniline
• IUPAC Traditional name: 4-dimethylaminophenylpentazole
• Synonyms: 4-Dimethylaminophenylpentazole

Database IDs

• PubChem SID: 162219779
• PubChem CID: 23279314
• Chemspider ID: 10447638
• Wikipedia Title: 4-Dimethylaminophenylpentazole

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8190453
• LogD (pH = 7.4): 1.9358872
• Log P: 1.9376
• Molar Refractivity: 66.8304 cm^3
• Polarizability: 19.621975 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true