ChemSpider 2D Image | 6-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-3-(4-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazine | C19H21N9O2S

6-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-3-(4-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazine

  • Molecular FormulaC19H21N9O2S
  • Average mass439.494 Da
  • Monoisotopic mass439.153900 Da
  • ChemSpider ID77495511

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,4-Triazolo[4,3-b]pyridazine, 6-[hexahydro-4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1H-1,4-diazepin-1-yl]-3-(4-pyridinyl)- [ACD/Index Name]
6-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-3-(4-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazin [German] [ACD/IUPAC Name]
6-{4-[(1-Methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-3-(4-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazine [ACD/IUPAC Name]
6-{4-[(1-Méthyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazépan-1-yl}-3-(4-pyridinyl)[1,2,4]triazolo[4,3-b]pyridazine [French] [ACD/IUPAC Name]
1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepane
2380187-98-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.778
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 38.08
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 38.15
Polar Surface Area: 123 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 72.7±7.0 dyne/cm
Molar Volume: 281.8±7.0 cm3

Click to predict properties on the Chemicalize site


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