(3S)-3-ethyl-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}morpholine

• ChemBase ID: 580055
• Molecular Formular: C12H15N5O2
• Molecular Mass: 261.2798
• Monoisotopic Mass: 261.12257475
• SMILES: c12n(nnn1)ccc(C(=O)N1[C@H](COCC1)CC)c2
• Canonical SMILES: CC[C@H]1COCCN1C(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C12H15N5O2/c1-2-10-8-19-6-5-16(10)12(18)9-3-4-17-11(7-9)13-14-15-17/h3-4,7,10H,2,5-6,8H2,1H3/t10-/m0/s1
• InChIKey: NRDHZKAQJPCFGV-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-ethyl-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}morpholine
• IUPAC Traditional name: (3S)-3-ethyl-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}morpholine
• Synonyms: 7-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}tetrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8215219
• LogD (pH = 7.4): 0.821522
• Log P: 0.821522
• Molar Refractivity: 81.0399 cm^3
• Polarizability: 25.464136 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.99
• LOG S: -1.57
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 2