Pf-4708671
Properties
- Molecular formula
- C19H21F3N6
- Molar mass
- 390.41 g/mol
- Exact mass
- 390.1780 Da
- logP
- 3.26Crippen estimate
- Polar surface area
- 60.9 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 4
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P316, P321, P330, P405, P501
Identifiers
CAS number
1255517-76-0SMILES
CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)FInChIKey
FBLPQCAQRNSVHB-UHFFFAOYSA-NInChI
InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C19H22F3N6 391.1853[M + Na]+
[M + Na]+ Calcd for C19H21F3N6Na 413.1672[M − H]−
[M − H]− Calcd for C19H20F3N6 389.1707Elemental analysis
Anal. Calcd for C19H21F3N6: C, 58.45; H, 5.42; N, 21.53.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Pf-4708671
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.