6-chloro-3-(morpholin-4-yl)-1,2,4-triazine

• ChemBase ID: 801512
• Molecular Formular: C7H9ClN4O
• Molecular Mass: 200.62556
• Monoisotopic Mass: 200.04648861
• SMILES: n1nc(ncc1Cl)N1CCOCC1
• Canonical SMILES: Clc1cnc(nn1)N1CCOCC1
• InChI: InChI=1S/C7H9ClN4O/c8-6-5-9-7(11-10-6)12-1-3-13-4-2-12/h5H,1-4H2
• InChIKey: NQHAHIBWMBOLBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-(morpholin-4-yl)-1,2,4-triazine
• IUPAC Traditional name: 6-chloro-3-(morpholin-4-yl)-1,2,4-triazine
• Synonyms: 6-CHLORO-3-MORPHOLIN-4-YL-1,2,4-TRIAZINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.4625153
• LogD (pH = 7.4): 0.46251675
• Log P: 0.46251678
• Molar Refractivity: 51.9008 cm^3
• Polarizability: 18.21223 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%