2-(morpholin-4-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)aniline

• ChemBase ID: 123506
• Molecular Formular: C11H14N6O
• Molecular Mass: 246.26846
• Monoisotopic Mass: 246.1229091
• SMILES: n1(nnnc1)c1cc(c(N2CCOCC2)cc1)N
• Canonical SMILES: Nc1cc(ccc1N1CCOCC1)n1cnnn1
• InChI: InChI=1S/C11H14N6O/c12-10-7-9(17-8-13-14-15-17)1-2-11(10)16-3-5-18-6-4-16/h1-2,7-8H,3-6,12H2
• InChIKey: FPPORBYHDXRQDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)aniline
• IUPAC Traditional name: 2-(morpholin-4-yl)-5-(1,2,3,4-tetrazol-1-yl)aniline
• Synonyms: 2-morpholino-5-(1H-tetrazol-1-yl)aniline

Database IDs

• PubChem SID: 162217859
• PubChem CID: 28643023

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.06525319
• LogD (pH = 7.4): 0.07121111
• Log P: 0.07128761
• Molar Refractivity: 71.1964 cm^3
• Polarizability: 25.283857 Å^3
• Polar Surface Area: 82.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true